N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine

C17H28N2 — CID 62117804

IUPACN-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccccc1N1CCCC1
InChIInChI=1S/C17H28N2/c1-3-9-16(4-2)18-14-15-10-5-6-11-17(15)19-12-7-8-13-19/h5-6,10-11,16,18H,3-4,7-9,12-14H2,1-2H3
InChIKeyOMPOFGDIVJJUPK-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.96
Rot. Bonds7

About N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine

N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine (PubChem CID 62117804) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
PubChem CID62117804
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccccc1N1CCCC1
InChIInChI=1S/C17H28N2/c1-3-9-16(4-2)18-14-15-10-5-6-11-17(15)19-12-7-8-13-19/h5-6,10-11,16,18H,3-4,7-9,12-14H2,1-2H3
InChIKeyOMPOFGDIVJJUPK-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
CID 115644780
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
CID 115621683
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine?
The IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine (CID 62117804) is N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine is CCCC(CC)NCc1ccccc1N1CCCC1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine?
The InChIKey is OMPOFGDIVJJUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-9-16(4-2)18-14-15-10-5-6-11-17(15)19-12-7-8-13-19/h5-6,10-11,16,18H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine?
N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine has a molecular weight of 260.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine is sourced from PubChem (CID 62117804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).