[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine

C17H32N2 — CID 83227967

IUPAC[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C17H32N2/c1-3-16-9-6-13(2)19(16)17(12-18)10-4-5-15(11-17)14-7-8-14/h13-16H,3-12,18H2,1-2H3
InChIKeyNEEWZLBAGIDZNJ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.55
Rot. Bonds4

About [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine

[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 83227967) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID83227967
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C17H32N2/c1-3-16-9-6-13(2)19(16)17(12-18)10-4-5-15(11-17)14-7-8-14/h13-16H,3-12,18H2,1-2H3
InChIKeyNEEWZLBAGIDZNJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 83227608
[3-ethyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 83228240
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 83226884
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405
[4-(2-ethyl-5-methylpyrrolidin-1-yl)thian-4-yl]methanamine
CID 83227600
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine
CID 113414484
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
[1-(8-azaspiro[4.5]decan-8-yl)-3-cyclopropylcyclohexyl]methanamine
CID 64625031
[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
CID 79166206
[1-(2-ethylpyrrolidin-1-yl)-3-methylcyclohexyl]methanamine
CID 60974436
[3-cyclopropyl-1-(3,3-dimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 64624830
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine
CID 83228059

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 83227967) is [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine is CCC1CCC(C)N1C1(CN)CCCC(C2CC2)C1.
What is the InChIKey of [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is NEEWZLBAGIDZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-16-9-6-13(2)19(16)17(12-18)10-4-5-15(11-17)14-7-8-14/h13-16H,3-12,18H2,1-2H3.
What are the key properties of [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 264.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 83227967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).