2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine

C18H36N2 — CID 63483028

IUPAC2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1CN1CCCC1C
InChIInChI=1S/C18H36N2/c1-5-10-19-18-9-8-16(14(2)3)12-17(18)13-20-11-6-7-15(20)4/h14-19H,5-13H2,1-4H3
InChIKeyFOXPNUVFKBPWHN-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds6

About 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine

2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 63483028) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID63483028
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1CN1CCCC1C
InChIInChI=1S/C18H36N2/c1-5-10-19-18-9-8-16(14(2)3)12-17(18)13-20-11-6-7-15(20)4/h14-19H,5-13H2,1-4H3
InChIKeyFOXPNUVFKBPWHN-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
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
4-[(2-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 66256953
2-(2,4-dimethylpiperidin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63468038
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708674
2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63466974
2-[(2-ethylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62615155

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 63483028) is 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1CN1CCCC1C.
What is the InChIKey of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is FOXPNUVFKBPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-10-19-18-9-8-16(14(2)3)12-17(18)13-20-11-6-7-15(20)4/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63483028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).