(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine

C17H26N2 — CID 83825709

IUPAC(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
SMILESNCC1(C2CCCC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2/c18-13-17(16-8-4-5-9-16)10-11-19(14-17)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,18H2
InChIKeySCMHTWCRFZWMPB-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.03
Rot. Bonds4

About (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine

(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine (PubChem CID 83825709) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
PubChem CID83825709
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
SMILESNCC1(C2CCCC2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2/c18-13-17(16-8-4-5-9-16)10-11-19(14-17)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,18H2
InChIKeySCMHTWCRFZWMPB-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
(4aS,8aR)-2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 40562487
2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 3396845
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
CID 175201473
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
1-(1-benzylazepan-4-yl)cyclopropan-1-amine
CID 83912862
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine
CID 82623797

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine (CID 83825709) is (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine is NCC1(C2CCCC2)CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine?
The InChIKey is SCMHTWCRFZWMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-13-17(16-8-4-5-9-16)10-11-19(14-17)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,18H2.
What are the key properties of (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine?
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 83825709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).