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

C13H22N2 — CID 28671703

IUPACN-(pyridin-3-ylmethyl)heptan-4-amine
SMILESCCCC(CCC)NCc1cccnc1
InChIInChI=1S/C13H22N2/c1-3-6-13(7-4-2)15-11-12-8-5-9-14-10-12/h5,8-10,13,15H,3-4,6-7,11H2,1-2H3
InChIKeyIYRKEDLKEYIRIK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds7

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

N-(pyridin-3-ylmethyl)heptan-4-amine (PubChem CID 28671703) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)heptan-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)heptan-4-amine
PubChem CID28671703
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(pyridin-3-ylmethyl)heptan-4-amine
SMILESCCCC(CCC)NCc1cccnc1
InChIInChI=1S/C13H22N2/c1-3-6-13(7-4-2)15-11-12-8-5-9-14-10-12/h5,8-10,13,15H,3-4,6-7,11H2,1-2H3
InChIKeyIYRKEDLKEYIRIK-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

N-(pyridin-3-ylmethyl)oct-7-en-4-amine
CID 115704900
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)heptan-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)heptan-4-amine (CID 28671703) is N-(pyridin-3-ylmethyl)heptan-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)heptan-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)heptan-4-amine is CCCC(CCC)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)heptan-4-amine?
The InChIKey is IYRKEDLKEYIRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-6-13(7-4-2)15-11-12-8-5-9-14-10-12/h5,8-10,13,15H,3-4,6-7,11H2,1-2H3.
What are the key properties of N-(pyridin-3-ylmethyl)heptan-4-amine?
N-(pyridin-3-ylmethyl)heptan-4-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-3-ylmethyl)heptan-4-amine is sourced from PubChem (CID 28671703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).