molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine

C13H25N3 — CID 142054842

IUPACmolecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
SMILESCCC(CC)Nc1ccc2c(n1)NCCC2.[H][H].[H][H]
InChIInChI=1S/C13H21N3.2H2/c1-3-11(4-2)15-12-8-7-10-6-5-9-14-13(10)16-12;;/h7-8,11H,3-6,9H2,1-2H3,(H2,14,15,16);2*1H
InChIKeyLERVYARLFIATMO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds4

About molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine

molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine (PubChem CID 142054842) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
PubChem CID142054842
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Namemolecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
SMILESCCC(CC)Nc1ccc2c(n1)NCCC2.[H][H].[H][H]
InChIInChI=1S/C13H21N3.2H2/c1-3-11(4-2)15-12-8-7-10-6-5-9-14-13(10)16-12;;/h7-8,11H,3-6,9H2,1-2H3,(H2,14,15,16);2*1H
InChIKeyLERVYARLFIATMO-UHFFFAOYSA-N
XLogP3.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 177029071
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 137474323
1-heptan-4-yl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]thiourea
CID 142418911
2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide
CID 90011648
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine?
The IUPAC name of molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine (CID 142054842) is molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine.
What is the SMILES notation for molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine?
The canonical SMILES for molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine is CCC(CC)Nc1ccc2c(n1)NCCC2.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine?
The InChIKey is LERVYARLFIATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.2H2/c1-3-11(4-2)15-12-8-7-10-6-5-9-14-13(10)16-12;;/h7-8,11H,3-6,9H2,1-2H3,(H2,14,15,16);2*1H.
What are the key properties of molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine?
molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine is sourced from PubChem (CID 142054842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).