2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine

C19H42N2 — CID 107871143

IUPAC2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)C)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-9-19(8,14-20-18(6)7)15-21(12-10-16(2)3)13-11-17(4)5/h16-18,20H,9-15H2,1-8H3
InChIKeyYXNZSBMZZPDXOH-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.79
Rot. Bonds12

About 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine

2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 107871143) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID107871143
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)C)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-9-19(8,14-20-18(6)7)15-21(12-10-16(2)3)13-11-17(4)5/h16-18,20H,9-15H2,1-8H3
InChIKeyYXNZSBMZZPDXOH-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
CID 113499938
N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63483431
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155
2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 62256428
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
2,2-diethyl-N,N-bis(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63495140

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine (CID 107871143) is 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine is CCC(C)(CNC(C)C)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YXNZSBMZZPDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-9-19(8,14-20-18(6)7)15-21(12-10-16(2)3)13-11-17(4)5/h16-18,20H,9-15H2,1-8H3.
What are the key properties of 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 298.56 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107871143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).