1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine

C18H30N2 — CID 79139729

IUPAC1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
SMILESCCCCC(NCC(C)N1CCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-4-12-18(17-10-6-5-7-11-17)19-15-16(2)20-13-8-9-14-20/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3
InChIKeyOVJIPOOENHCPGI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds8

About 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine

1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine (PubChem CID 79139729) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
PubChem CID79139729
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
SMILESCCCCC(NCC(C)N1CCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-4-12-18(17-10-6-5-7-11-17)19-15-16(2)20-13-8-9-14-20/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3
InChIKeyOVJIPOOENHCPGI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
CID 63463886
N-(2-methoxypropyl)-1-phenylpentan-1-amine
CID 102696616
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
CID 63983409
2-phenyl-N-(2-pyrrolidin-1-ylpropyl)propan-1-amine
CID 113222784
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
3-(1-phenylhexylamino)propane-1,2-diol
CID 66176548

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine?
The IUPAC name of 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine (CID 79139729) is 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine.
What is the SMILES notation for 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine?
The canonical SMILES for 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine is CCCCC(NCC(C)N1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine?
The InChIKey is OVJIPOOENHCPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-12-18(17-10-6-5-7-11-17)19-15-16(2)20-13-8-9-14-20/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine?
1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine is sourced from PubChem (CID 79139729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).