N-(pyridin-3-ylmethyl)heptan-1-amine

C13H22N2 — CID 4716863

IUPACN-(pyridin-3-ylmethyl)heptan-1-amine
SMILESCCCCCCCNCc1cccnc1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-9-14-11-13-8-7-10-15-12-13/h7-8,10,12,14H,2-6,9,11H2,1H3
InChIKeyNCZNSMWZOGVIHQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds8

About N-(pyridin-3-ylmethyl)heptan-1-amine

N-(pyridin-3-ylmethyl)heptan-1-amine (PubChem CID 4716863) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)heptan-1-amine
PubChem CID4716863
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(pyridin-3-ylmethyl)heptan-1-amine
SMILESCCCCCCCNCc1cccnc1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-9-14-11-13-8-7-10-15-12-13/h7-8,10,12,14H,2-6,9,11H2,1H3
InChIKeyNCZNSMWZOGVIHQ-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
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
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)heptan-1-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)heptan-1-amine (CID 4716863) is N-(pyridin-3-ylmethyl)heptan-1-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)heptan-1-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)heptan-1-amine is CCCCCCCNCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)heptan-1-amine?
The InChIKey is NCZNSMWZOGVIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-6-9-14-11-13-8-7-10-15-12-13/h7-8,10,12,14H,2-6,9,11H2,1H3.
What are the key properties of N-(pyridin-3-ylmethyl)heptan-1-amine?
N-(pyridin-3-ylmethyl)heptan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.14, 8 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-1-amine is sourced from PubChem (CID 4716863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).