4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine

C18H38N2 — CID 63469605

IUPAC4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCCN(C(C)C)C1CC(C)CCC1NCCC
InChIInChI=1S/C18H38N2/c1-6-8-9-13-20(15(3)4)18-14-16(5)10-11-17(18)19-12-7-2/h15-19H,6-14H2,1-5H3
InChIKeyJCJRSQZORJEFRV-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.44
Rot. Bonds9

About 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine

4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63469605) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
PubChem CID63469605
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCCN(C(C)C)C1CC(C)CCC1NCCC
InChIInChI=1S/C18H38N2/c1-6-8-9-13-20(15(3)4)18-14-16(5)10-11-17(18)19-12-7-2/h15-19H,6-14H2,1-5H3
InChIKeyJCJRSQZORJEFRV-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963
1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
CID 63469786
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 63469797
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
CID 43269484
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (CID 63469605) is 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is CCCCCN(C(C)C)C1CC(C)CCC1NCCC.
What is the InChIKey of 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is JCJRSQZORJEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-9-13-20(15(3)4)18-14-16(5)10-11-17(18)19-12-7-2/h15-19H,6-14H2,1-5H3.
What are the key properties of 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63469605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).