N-(pyridin-4-ylmethyl)heptan-3-amine

C13H22N2 — CID 63947303

IUPACN-(pyridin-4-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1ccncc1
InChIInChI=1S/C13H22N2/c1-3-5-6-13(4-2)15-11-12-7-9-14-10-8-12/h7-10,13,15H,3-6,11H2,1-2H3
InChIKeyPUMLUDWDDFZDFG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds7

About N-(pyridin-4-ylmethyl)heptan-3-amine

N-(pyridin-4-ylmethyl)heptan-3-amine (PubChem CID 63947303) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)heptan-3-amine
PubChem CID63947303
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(pyridin-4-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1ccncc1
InChIInChI=1S/C13H22N2/c1-3-5-6-13(4-2)15-11-12-7-9-14-10-8-12/h7-10,13,15H,3-6,11H2,1-2H3
InChIKeyPUMLUDWDDFZDFG-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine
CID 63946149
N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63946949
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N-propan-2-yl-1-pyridin-4-ylhexan-2-amine
CID 79411774
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
N-(1,3-thiazol-5-ylmethyl)heptan-3-amine
CID 104585423
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
2-N-benzylhexane-1,2-diamine
CID 65385282

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)heptan-3-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)heptan-3-amine (CID 63947303) is N-(pyridin-4-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)heptan-3-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)heptan-3-amine is CCCCC(CC)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)heptan-3-amine?
The InChIKey is PUMLUDWDDFZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-6-13(4-2)15-11-12-7-9-14-10-8-12/h7-10,13,15H,3-6,11H2,1-2H3.
What are the key properties of N-(pyridin-4-ylmethyl)heptan-3-amine?
N-(pyridin-4-ylmethyl)heptan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)heptan-3-amine is sourced from PubChem (CID 63947303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).