1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine

C17H30N2 — CID 61476145

IUPAC1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
SMILESCc1cc(C)c(CNC(CN(C)C)C(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-12(2)17(11-19(6)7)18-10-16-14(4)8-13(3)9-15(16)5/h8-9,12,17-18H,10-11H2,1-7H3
InChIKeyNWNWTDIBYVWFQR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.29
Rot. Bonds6

About 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine (PubChem CID 61476145) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
PubChem CID61476145
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
SMILESCc1cc(C)c(CNC(CN(C)C)C(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-12(2)17(11-19(6)7)18-10-16-14(4)8-13(3)9-15(16)5/h8-9,12,17-18H,10-11H2,1-7H3
InChIKeyNWNWTDIBYVWFQR-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953665
1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 107859391
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
2-N-[(3,5-difluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113338404
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,5-difluorobenzonitrile
CID 107038179
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450
1-chloro-4,4-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]pentan-3-amine
CID 106354200
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine (CID 61476145) is 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine is Cc1cc(C)c(CNC(CN(C)C)C(C)C)c(C)c1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine?
The InChIKey is NWNWTDIBYVWFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)17(11-19(6)7)18-10-16-14(4)8-13(3)9-15(16)5/h8-9,12,17-18H,10-11H2,1-7H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 61476145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).