N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine

C19H32N2 — CID 61211193

IUPACN-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCCCCCC(C)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-13-15-21(16-19)14-12-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3
InChIKeyIYVSYCGFSFPTQK-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds9

About N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine

N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine (PubChem CID 61211193) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
PubChem CID61211193
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCCCCCC(C)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-13-15-21(16-19)14-12-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3
InChIKeyIYVSYCGFSFPTQK-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 115901640
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine (CID 61211193) is N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine is CCCCCC(C)NC1CCN(CCc2ccccc2)C1.
What is the InChIKey of N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine?
The InChIKey is IYVSYCGFSFPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-13-15-21(16-19)14-12-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3.
What are the key properties of N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine?
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine has a molecular weight of 288.48 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 61211193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).