1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine

C18H28N2 — CID 43085353

IUPAC1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CCC(NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H28N2/c1-15-7-9-17(10-8-15)19-18-11-12-20(14-18)13-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3
InChIKeyLIRHKZMBAUPJEH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds4

About 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine

1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine (PubChem CID 43085353) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
PubChem CID43085353
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
SMILESCC1CCC(NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H28N2/c1-15-7-9-17(10-8-15)19-18-11-12-20(14-18)13-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3
InChIKeyLIRHKZMBAUPJEH-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43223634
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N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
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1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
CID 102671339
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
CID 95219570

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine (CID 43085353) is 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine is CC1CCC(NC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is LIRHKZMBAUPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-7-9-17(10-8-15)19-18-11-12-20(14-18)13-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3.
What are the key properties of 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine?
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 43085353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).