N-(2-pyridin-4-ylethyl)heptan-1-amine

C14H24N2 — CID 60904179

IUPACN-(2-pyridin-4-ylethyl)heptan-1-amine
SMILESCCCCCCCNCCc1ccncc1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-10-15-11-7-14-8-12-16-13-9-14/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyJYGPRAMJVHNUJO-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.18
Rot. Bonds9

About N-(2-pyridin-4-ylethyl)heptan-1-amine

N-(2-pyridin-4-ylethyl)heptan-1-amine (PubChem CID 60904179) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)heptan-1-amine
PubChem CID60904179
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(2-pyridin-4-ylethyl)heptan-1-amine
SMILESCCCCCCCNCCc1ccncc1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-10-15-11-7-14-8-12-16-13-9-14/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyJYGPRAMJVHNUJO-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.18
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

5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
4-[2-(octylamino)ethyl]aniline
CID 113337418
4-[2-(pentylamino)ethyl]phenol
CID 61236551
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
N-(4-pyridin-4-ylsulfanylbutyl)octan-1-amine
CID 19079129
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)heptan-1-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)heptan-1-amine (CID 60904179) is N-(2-pyridin-4-ylethyl)heptan-1-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)heptan-1-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)heptan-1-amine is CCCCCCCNCCc1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)heptan-1-amine?
The InChIKey is JYGPRAMJVHNUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-4-5-6-10-15-11-7-14-8-12-16-13-9-14/h8-9,12-13,15H,2-7,10-11H2,1H3.
What are the key properties of N-(2-pyridin-4-ylethyl)heptan-1-amine?
N-(2-pyridin-4-ylethyl)heptan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)heptan-1-amine is sourced from PubChem (CID 60904179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).