1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine

C13H26N2 — CID 103975545

IUPAC1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
SMILESCC1CCCC(N2CCC(C(C)N)C2)C1
InChIInChI=1S/C13H26N2/c1-10-4-3-5-13(8-10)15-7-6-12(9-15)11(2)14/h10-13H,3-9,14H2,1-2H3
InChIKeyCWCZUKZVYOQGOW-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.23
Rot. Bonds2

About 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine

1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine (PubChem CID 103975545) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
PubChem CID103975545
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
SMILESCC1CCCC(N2CCC(C(C)N)C2)C1
InChIInChI=1S/C13H26N2/c1-10-4-3-5-13(8-10)15-7-6-12(9-15)11(2)14/h10-13H,3-9,14H2,1-2H3
InChIKeyCWCZUKZVYOQGOW-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430
1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843314
1-(1-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
CID 65088932
1-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]ethanamine
CID 64756606
1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
CID 103975580

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine (CID 103975545) is 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine is CC1CCCC(N2CCC(C(C)N)C2)C1.
What is the InChIKey of 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is CWCZUKZVYOQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-4-3-5-13(8-10)15-7-6-12(9-15)11(2)14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine?
1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 210.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).