N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine

C19H32N2 — CID 63463886

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
SMILESCCCCC(NCC(C)CN1CCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-4-12-19(18-10-6-5-7-11-18)20-15-17(2)16-21-13-8-9-14-21/h5-7,10-11,17,19-20H,3-4,8-9,12-16H2,1-2H3
InChIKeyAXIQPZZSQZBIPT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds9

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine (PubChem CID 63463886) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
PubChem CID63463886
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
SMILESCCCCC(NCC(C)CN1CCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-4-12-19(18-10-6-5-7-11-18)20-15-17(2)16-21-13-8-9-14-21/h5-7,10-11,17,19-20H,3-4,8-9,12-16H2,1-2H3
InChIKeyAXIQPZZSQZBIPT-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
CID 63983409
N-(2-methoxypropyl)-1-phenylpentan-1-amine
CID 102696616
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
CID 79008482
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine (CID 63463886) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine is CCCCC(NCC(C)CN1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine?
The InChIKey is AXIQPZZSQZBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-4-12-19(18-10-6-5-7-11-18)20-15-17(2)16-21-13-8-9-14-21/h5-7,10-11,17,19-20H,3-4,8-9,12-16H2,1-2H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine is sourced from PubChem (CID 63463886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).