[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine

C19H36N2 — CID 65088575

IUPAC[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
SMILESCC1(C)CCCC(CN)(N2CCCC2C2CCCC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2)10-6-11-19(15-20,13-12-18)21-14-5-9-17(21)16-7-3-4-8-16/h16-17H,3-15,20H2,1-2H3
InChIKeyVLBKVTWKINOZLQ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.33
Rot. Bonds3

About [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine

[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine (PubChem CID 65088575) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
PubChem CID65088575
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
SMILESCC1(C)CCCC(CN)(N2CCCC2C2CCCC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2)10-6-11-19(15-20,13-12-18)21-14-5-9-17(21)16-7-3-4-8-16/h16-17H,3-15,20H2,1-2H3
InChIKeyVLBKVTWKINOZLQ-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
CID 79521878
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43628102
[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
CID 102725752
[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
CID 82746499
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[3-(2-cyclopentylpyrrolidin-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62977325
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 65319426
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088275
[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,4-dimethylthian-3-yl]methanamine
CID 102725709

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine?
The IUPAC name of [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine (CID 65088575) is [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine.
What is the SMILES notation for [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine?
The canonical SMILES for [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine is CC1(C)CCCC(CN)(N2CCCC2C2CCCC2)CC1.
What is the InChIKey of [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine?
The InChIKey is VLBKVTWKINOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-18(2)10-6-11-19(15-20,13-12-18)21-14-5-9-17(21)16-7-3-4-8-16/h16-17H,3-15,20H2,1-2H3.
What are the key properties of [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine?
[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine has a molecular weight of 292.51 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine is sourced from PubChem (CID 65088575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).