N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine

C19H32N2 — CID 62133567

IUPACN-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine
SMILESCCCC(NCC)C(CC)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-4-10-18(20-6-3)19(5-2)21-14-13-17(15-21)16-11-8-7-9-12-16/h7-9,11-12,17-20H,4-6,10,13-15H2,1-3H3
InChIKeyVKZWZMKNILAPSU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.03
Rot. Bonds8

About N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine

N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine (PubChem CID 62133567) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine
PubChem CID62133567
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine
SMILESCCCC(NCC)C(CC)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-4-10-18(20-6-3)19(5-2)21-14-13-17(15-21)16-11-8-7-9-12-16/h7-9,11-12,17-20H,4-6,10,13-15H2,1-3H3
InChIKeyVKZWZMKNILAPSU-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine?
The IUPAC name of N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine (CID 62133567) is N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine.
What is the SMILES notation for N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine?
The canonical SMILES for N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine is CCCC(NCC)C(CC)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine?
The InChIKey is VKZWZMKNILAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-10-18(20-6-3)19(5-2)21-14-13-17(15-21)16-11-8-7-9-12-16/h7-9,11-12,17-20H,4-6,10,13-15H2,1-3H3.
What are the key properties of N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine?
N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-phenylpyrrolidin-1-yl)heptan-4-amine is sourced from PubChem (CID 62133567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).