5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine

C14H24N2 — CID 43204922

IUPAC5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCc1cccnc1
InChIInChI=1S/C14H24N2/c1-4-12(3)9-14(5-2)16-11-13-7-6-8-15-10-13/h6-8,10,12,14,16H,4-5,9,11H2,1-3H3
InChIKeyDITBAPPXDQJGND-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds7

About 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine

5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine (PubChem CID 43204922) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
PubChem CID43204922
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCc1cccnc1
InChIInChI=1S/C14H24N2/c1-4-12(3)9-14(5-2)16-11-13-7-6-8-15-10-13/h6-8,10,12,14,16H,4-5,9,11H2,1-3H3
InChIKeyDITBAPPXDQJGND-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
N,4-dimethyl-1-pyridin-3-ylheptan-2-amine
CID 62604003
N-(pyridin-3-ylmethyl)oct-7-en-4-amine
CID 115704900
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine?
The IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine (CID 43204922) is 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine is CCC(C)CC(CC)NCc1cccnc1.
What is the InChIKey of 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine?
The InChIKey is DITBAPPXDQJGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-12(3)9-14(5-2)16-11-13-7-6-8-15-10-13/h6-8,10,12,14,16H,4-5,9,11H2,1-3H3.
What are the key properties of 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine?
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine is sourced from PubChem (CID 43204922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).