N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride

C14H25ClN2 — CID 17331176

IUPACN-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
SMILESCCCCCCCCNCc1cccnc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-2-3-4-5-6-7-10-15-12-14-9-8-11-16-13-14;/h8-9,11,13,15H,2-7,10,12H2,1H3;1H
InChIKeyGRMNHXJKAKZXIT-UHFFFAOYSA-N
MW256.82 g/mol
LogP3.95
Rot. Bonds9

About N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride

N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride (PubChem CID 17331176) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
PubChem CID17331176
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC NameN-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
SMILESCCCCCCCCNCc1cccnc1.Cl
InChIInChI=1S/C14H24N2.ClH/c1-2-3-4-5-6-7-10-15-12-14-9-8-11-16-13-14;/h8-9,11,13,15H,2-7,10,12H2,1H3;1H
InChIKeyGRMNHXJKAKZXIT-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
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N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-(pyrimidin-5-ylmethyl)heptan-1-amine
CID 82672400
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride?
The IUPAC name of N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride (CID 17331176) is N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride.
What is the SMILES notation for N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride?
The canonical SMILES for N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride is CCCCCCCCNCc1cccnc1.Cl.
What is the InChIKey of N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride?
The InChIKey is GRMNHXJKAKZXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.ClH/c1-2-3-4-5-6-7-10-15-12-14-9-8-11-16-13-14;/h8-9,11,13,15H,2-7,10,12H2,1H3;1H.
What are the key properties of N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride?
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride is sourced from PubChem (CID 17331176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).