[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine

C17H34N2 — CID 107429133

IUPAC[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
SMILESCCC1CCN(C2(CN)CCCC(CC(C)C)C2)C1
InChIInChI=1S/C17H34N2/c1-4-15-7-9-19(12-15)17(13-18)8-5-6-16(11-17)10-14(2)3/h14-16H,4-13,18H2,1-3H3
InChIKeyIBFYVRWBKOUKLQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds5

About [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine

[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine (PubChem CID 107429133) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
PubChem CID107429133
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
SMILESCCC1CCN(C2(CN)CCCC(CC(C)C)C2)C1
InChIInChI=1S/C17H34N2/c1-4-15-7-9-19(12-15)17(13-18)8-5-6-16(11-17)10-14(2)3/h14-16H,4-13,18H2,1-3H3
InChIKeyIBFYVRWBKOUKLQ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429031
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
[1-(2-ethylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107428917
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine (CID 107429133) is [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine is CCC1CCN(C2(CN)CCCC(CC(C)C)C2)C1.
What is the InChIKey of [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
The InChIKey is IBFYVRWBKOUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-15-7-9-19(12-15)17(13-18)8-5-6-16(11-17)10-14(2)3/h14-16H,4-13,18H2,1-3H3.
What are the key properties of [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine?
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine is sourced from PubChem (CID 107429133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).