2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine

C39H68N4 — CID 122206259

IUPAC2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine
SMILESCc1c(CNCC(C)C)c(C)c(Cc2c(C)c(CNCC(C)C)c(C)c(CNCC(C)C)c2C)c(C)c1CNCC(C)C
InChIInChI=1S/C39H68N4/c1-24(2)16-40-20-36-28(9)34(29(10)37(32(36)13)21-41-17-25(3)4)15-35-30(11)38(22-42-18-26(5)6)33(14)39(31(35)12)23-43-19-27(7)8/h24-27,40-43H,15-23H2,1-14H3
InChIKeyQDQLXTHHSBQBID-UHFFFAOYSA-N
MW593.00 g/mol
LogP8.11
Rot. Bonds18

About 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine (PubChem CID 122206259) has the molecular formula C39H68N4 and a molecular weight of 593.00 g/mol. Its IUPAC name is 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine
PubChem CID122206259
Molecular FormulaC39H68N4
Molecular Weight593.00 g/mol
Exact Mass592.54
IUPAC Name2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine
SMILESCc1c(CNCC(C)C)c(C)c(Cc2c(C)c(CNCC(C)C)c(C)c(CNCC(C)C)c2C)c(C)c1CNCC(C)C
InChIInChI=1S/C39H68N4/c1-24(2)16-40-20-36-28(9)34(29(10)37(32(36)13)21-41-17-25(3)4)15-35-30(11)38(22-42-18-26(5)6)33(14)39(31(35)12)23-43-19-27(7)8/h24-27,40-43H,15-23H2,1-14H3
InChIKeyQDQLXTHHSBQBID-UHFFFAOYSA-N
XLogP8.11
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.00
LogP ≤ 58.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152932
N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 62746709
CID 175939227
CID 175939227
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746547
N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
CID 50999583
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746715
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
CID 63487572
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine (CID 122206259) is 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine is Cc1c(CNCC(C)C)c(C)c(Cc2c(C)c(CNCC(C)C)c(C)c(CNCC(C)C)c2C)c(C)c1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is QDQLXTHHSBQBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H68N4/c1-24(2)16-40-20-36-28(9)34(29(10)37(32(36)13)21-41-17-25(3)4)15-35-30(11)38(22-42-18-26(5)6)33(14)39(31(35)12)23-43-19-27(7)8/h24-27,40-43H,15-23H2,1-14H3.
What are the key properties of 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 593.00 g/mol, XLogP of 8.11, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-5-[[2,4,6-trimethyl-3,5-bis[(2-methylpropylamino)methyl]phenyl]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 122206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).