3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine

C19H32N2 — CID 115377235

IUPAC3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
SMILESCCCC1CCCC(Nc2ccc(C)c(N(C)C)c2)CC1
InChIInChI=1S/C19H32N2/c1-5-7-16-8-6-9-17(13-11-16)20-18-12-10-15(2)19(14-18)21(3)4/h10,12,14,16-17,20H,5-9,11,13H2,1-4H3
InChIKeyIXLUABYPKMDYTP-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.22
Rot. Bonds5

About 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine (PubChem CID 115377235) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
PubChem CID115377235
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
SMILESCCCC1CCCC(Nc2ccc(C)c(N(C)C)c2)CC1
InChIInChI=1S/C19H32N2/c1-5-7-16-8-6-9-17(13-11-16)20-18-12-10-15(2)19(14-18)21(3)4/h10,12,14,16-17,20H,5-9,11,13H2,1-4H3
InChIKeyIXLUABYPKMDYTP-UHFFFAOYSA-N
XLogP5.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 43690400
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221
N-(4-fluoro-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086819
N-(4-propylcycloheptyl)pyrimidin-5-amine
CID 107588235
6-methoxy-N-(4-propylcycloheptyl)pyridin-3-amine
CID 65087510

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine (CID 115377235) is 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine is CCCC1CCCC(Nc2ccc(C)c(N(C)C)c2)CC1.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine?
The InChIKey is IXLUABYPKMDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-7-16-8-6-9-17(13-11-16)20-18-12-10-15(2)19(14-18)21(3)4/h10,12,14,16-17,20H,5-9,11,13H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine is sourced from PubChem (CID 115377235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).