1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine

C22H40N2 — CID 135274435

IUPAC1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine
SMILESCC(C)CCN(c1cccc(N(CCC(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C22H40N2/c1-17(2)12-14-23(19(5)6)21-10-9-11-22(16-21)24(20(7)8)15-13-18(3)4/h9-11,16-20H,12-15H2,1-8H3
InChIKeyGWCHEUXHHCXPJX-UHFFFAOYSA-N
MW332.58 g/mol
LogP6.21
Rot. Bonds10

About 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine

1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine (PubChem CID 135274435) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine
PubChem CID135274435
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine
SMILESCC(C)CCN(c1cccc(N(CCC(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C22H40N2/c1-17(2)12-14-23(19(5)6)21-10-9-11-22(16-21)24(20(7)8)15-13-18(3)4/h9-11,16-20H,12-15H2,1-8H3
InChIKeyGWCHEUXHHCXPJX-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 83821234
1-(3-methylbutyl)-1-phenylhydrazine
CID 22487049
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
(2S)-2-amino-4-(N-propan-2-ylanilino)butanoic acid
CID 172529241
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
4-(3-nitro-N-propan-2-ylanilino)butanoic acid
CID 54925929
N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine
CID 11140465
1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
CID 126713383
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
3-[3-fluoro-N-(3-methylbutyl)anilino]propanoic acid
CID 82319115
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
methyl-[3-[propan-2-yl(prop-2-ynyl)amino]phenyl]carbamic acid
CID 154362582

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine (CID 135274435) is 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine is CC(C)CCN(c1cccc(N(CCC(C)C)C(C)C)c1)C(C)C.
What is the InChIKey of 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine?
The InChIKey is GWCHEUXHHCXPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-17(2)12-14-23(19(5)6)21-10-9-11-22(16-21)24(20(7)8)15-13-18(3)4/h9-11,16-20H,12-15H2,1-8H3.
What are the key properties of 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine?
1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine has a molecular weight of 332.58 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 135274435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).