4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine

C17H30N2 — CID 107869155

IUPAC4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H30N2/c1-13(2)8-10-19(11-9-14(3)4)17-12-16(18)7-6-15(17)5/h6-7,12-14H,8-11,18H2,1-5H3
InChIKeyNUZCXJCDALTUQL-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.48
Rot. Bonds7

About 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine

4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine (PubChem CID 107869155) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
PubChem CID107869155
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H30N2/c1-13(2)8-10-19(11-9-14(3)4)17-12-16(18)7-6-15(17)5/h6-7,12-14H,8-11,18H2,1-5H3
InChIKeyNUZCXJCDALTUQL-UHFFFAOYSA-N
XLogP4.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590529
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
4-methyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 62590495
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
4-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 62590706
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
4-amino-3-[bis(3-methylbutyl)amino]benzoic acid
CID 107870735

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine (CID 107869155) is 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine is Cc1ccc(N)cc1N(CCC(C)C)CCC(C)C.
What is the InChIKey of 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine?
The InChIKey is NUZCXJCDALTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)8-10-19(11-9-14(3)4)17-12-16(18)7-6-15(17)5/h6-7,12-14H,8-11,18H2,1-5H3.
What are the key properties of 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine?
4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine is sourced from PubChem (CID 107869155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).