(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine

C11H22N2 — CID 115302430

IUPAC(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CCCC(N2CC[C@H](N)C2)C1
InChIInChI=1S/C11H22N2/c1-9-3-2-4-11(7-9)13-6-5-10(12)8-13/h9-11H,2-8,12H2,1H3/t9?,10-,11?/m0/s1
InChIKeyTUMGQGHHBIUDKB-YVNMAJEFSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds1

About (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine

(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine (PubChem CID 115302430) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
PubChem CID115302430
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CCCC(N2CC[C@H](N)C2)C1
InChIInChI=1S/C11H22N2/c1-9-3-2-4-11(7-9)13-6-5-10(12)8-13/h9-11H,2-8,12H2,1H3/t9?,10-,11?/m0/s1
InChIKeyTUMGQGHHBIUDKB-YVNMAJEFSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine (CID 115302430) is (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine is CC1CCCC(N2CC[C@H](N)C2)C1.
What is the InChIKey of (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is TUMGQGHHBIUDKB-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-3-2-4-11(7-9)13-6-5-10(12)8-13/h9-11H,2-8,12H2,1H3/t9?,10-,11?/m0/s1.
What are the key properties of (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine?
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 115302430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).