3-phenyl-4-pyrrolidin-1-ylheptan-3-amine

C17H28N2 — CID 43829646

IUPAC3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
SMILESCCCC(N1CCCC1)C(N)(CC)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-10-16(19-13-8-9-14-19)17(18,4-2)15-11-6-5-7-12-15/h5-7,11-12,16H,3-4,8-10,13-14,18H2,1-2H3
InChIKeyBSTYPOXCRRIIGF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds6

About 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine

3-phenyl-4-pyrrolidin-1-ylheptan-3-amine (PubChem CID 43829646) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine.

Molecular Properties

Compound Name3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
PubChem CID43829646
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
SMILESCCCC(N1CCCC1)C(N)(CC)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-10-16(19-13-8-9-14-19)17(18,4-2)15-11-6-5-7-12-15/h5-7,11-12,16H,3-4,8-10,13-14,18H2,1-2H3
InChIKeyBSTYPOXCRRIIGF-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine?
The IUPAC name of 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine (CID 43829646) is 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine.
What is the SMILES notation for 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine?
The canonical SMILES for 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine is CCCC(N1CCCC1)C(N)(CC)c1ccccc1.
What is the InChIKey of 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine?
The InChIKey is BSTYPOXCRRIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-10-16(19-13-8-9-14-19)17(18,4-2)15-11-6-5-7-12-15/h5-7,11-12,16H,3-4,8-10,13-14,18H2,1-2H3.
What are the key properties of 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine?
3-phenyl-4-pyrrolidin-1-ylheptan-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-pyrrolidin-1-ylheptan-3-amine is sourced from PubChem (CID 43829646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).