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

C18H36N2 — CID 63466974

IUPAC2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)C)CC1N(C)C1CCCC1
InChIInChI=1S/C18H36N2/c1-5-12-19-17-11-10-15(14(2)3)13-18(17)20(4)16-8-6-7-9-16/h14-19H,5-13H2,1-4H3
InChIKeyBQKRZIFGIMJKFK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds6

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

2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63466974) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
PubChem CID63466974
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)C)CC1N(C)C1CCCC1
InChIInChI=1S/C18H36N2/c1-5-12-19-17-11-10-15(14(2)3)13-18(17)20(4)16-8-6-7-9-16/h14-19H,5-13H2,1-4H3
InChIKeyBQKRZIFGIMJKFK-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63465920
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63483028
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (CID 63466974) is 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(C(C)C)CC1N(C)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is BQKRZIFGIMJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-12-19-17-11-10-15(14(2)3)13-18(17)20(4)16-8-6-7-9-16/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63466974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).