N-(1-pyridin-4-ylpropyl)pentan-3-amine

C13H22N2 — CID 115723436

IUPACN-(1-pyridin-4-ylpropyl)pentan-3-amine
SMILESCCC(CC)NC(CC)c1ccncc1
InChIInChI=1S/C13H22N2/c1-4-12(5-2)15-13(6-3)11-7-9-14-10-8-11/h7-10,12-13,15H,4-6H2,1-3H3
InChIKeyIMJVFNZKFRZYIO-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.31
Rot. Bonds6

About N-(1-pyridin-4-ylpropyl)pentan-3-amine

N-(1-pyridin-4-ylpropyl)pentan-3-amine (PubChem CID 115723436) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpropyl)pentan-3-amine
PubChem CID115723436
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(1-pyridin-4-ylpropyl)pentan-3-amine
SMILESCCC(CC)NC(CC)c1ccncc1
InChIInChI=1S/C13H22N2/c1-4-12(5-2)15-13(6-3)11-7-9-14-10-8-11/h7-10,12-13,15H,4-6H2,1-3H3
InChIKeyIMJVFNZKFRZYIO-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyridin-4-ylbut-3-enyl)pentan-3-amine
CID 115720314
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
2-methyl-N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723432
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859
(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylpropyl)pentan-3-amine?
The IUPAC name of N-(1-pyridin-4-ylpropyl)pentan-3-amine (CID 115723436) is N-(1-pyridin-4-ylpropyl)pentan-3-amine.
What is the SMILES notation for N-(1-pyridin-4-ylpropyl)pentan-3-amine?
The canonical SMILES for N-(1-pyridin-4-ylpropyl)pentan-3-amine is CCC(CC)NC(CC)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylpropyl)pentan-3-amine?
The InChIKey is IMJVFNZKFRZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12(5-2)15-13(6-3)11-7-9-14-10-8-11/h7-10,12-13,15H,4-6H2,1-3H3.
What are the key properties of N-(1-pyridin-4-ylpropyl)pentan-3-amine?
N-(1-pyridin-4-ylpropyl)pentan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpropyl)pentan-3-amine is sourced from PubChem (CID 115723436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).