1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine

C18H36N2 — CID 104575342

IUPAC1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-18(2,3)15-11-9-14(10-12-15)17(13-19)20(4)16-7-5-6-8-16/h14-17H,5-13,19H2,1-4H3
InChIKeyBQIAPYJWMNOMLA-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine

1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine (PubChem CID 104575342) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine
PubChem CID104575342
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-18(2,3)15-11-9-14(10-12-15)17(13-19)20(4)16-7-5-6-8-16/h14-17H,5-13,19H2,1-4H3
InChIKeyBQIAPYJWMNOMLA-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine with MolForge

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Related Compounds

N-(4-tert-butylcycloheptyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651436
1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
CID 116651214
1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine
CID 116651527
2-N-cyclopentyl-2-N,3,3-trimethylbutane-1,2-diamine
CID 61326826
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 55034622
1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
CID 106820716
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119
2-N-cyclopentyl-2-N,3-dimethylpentane-1,2-diamine
CID 43312482

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine (CID 104575342) is 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine is CN(C1CCCC1)C(CN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
The InChIKey is BQIAPYJWMNOMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-18(2,3)15-11-9-14(10-12-15)17(13-19)20(4)16-7-5-6-8-16/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine?
1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-cyclopentyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 104575342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).