[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine

C18H27N3 — CID 82824035

IUPAC[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESNCC1(N2CCC(c3ccccc3)C2)CCN2CCCC21
InChIInChI=1S/C18H27N3/c19-14-18(9-12-20-10-4-7-17(18)20)21-11-8-16(13-21)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,19H2
InChIKeyDVMHANOFYCZEGQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.04
Rot. Bonds3

About [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine

[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine (PubChem CID 82824035) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
PubChem CID82824035
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESNCC1(N2CCC(c3ccccc3)C2)CCN2CCCC21
InChIInChI=1S/C18H27N3/c19-14-18(9-12-20-10-4-7-17(18)20)21-11-8-16(13-21)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,19H2
InChIKeyDVMHANOFYCZEGQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
CID 82853075
[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853079
[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853766
[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103531964
[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 79950950
[1-(benzylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82855751
1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62133228
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
CID 67867198
[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine
CID 24708363
2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
CID 82856381
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
CID 3030621

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The IUPAC name of [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine (CID 82824035) is [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine.
What is the SMILES notation for [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The canonical SMILES for [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine is NCC1(N2CCC(c3ccccc3)C2)CCN2CCCC21.
What is the InChIKey of [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The InChIKey is DVMHANOFYCZEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c19-14-18(9-12-20-10-4-7-17(18)20)21-11-8-16(13-21)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,19H2.
What are the key properties of [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine has a molecular weight of 285.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine is sourced from PubChem (CID 82824035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).