4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine

C19H40N2 — CID 63469543

IUPAC4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)(C)C)CC1N(C)CC(C)CC
InChIInChI=1S/C19H40N2/c1-8-12-20-17-11-10-16(19(4,5)6)13-18(17)21(7)14-15(3)9-2/h15-18,20H,8-14H2,1-7H3
InChIKeyZBLHKOKIADKCJJ-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds7

About 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine

4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63469543) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID63469543
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)(C)C)CC1N(C)CC(C)CC
InChIInChI=1S/C19H40N2/c1-8-12-20-17-11-10-16(19(4,5)6)13-18(17)21(7)14-15(3)9-2/h15-18,20H,8-14H2,1-7H3
InChIKeyZBLHKOKIADKCJJ-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 81035410
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
CID 82732254
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
4-tert-butyl-1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine
CID 79842762
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
2-N-methyl-2-N-(2-methylbutyl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63467737

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine (CID 63469543) is 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(C(C)(C)C)CC1N(C)CC(C)CC.
What is the InChIKey of 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is ZBLHKOKIADKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-12-20-17-11-10-16(19(4,5)6)13-18(17)21(7)14-15(3)9-2/h15-18,20H,8-14H2,1-7H3.
What are the key properties of 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine?
4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63469543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).