N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine

C16H25N3 — CID 14837425

IUPACN-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
SMILESCCCN1CCCC2Cc3nc(NC)ccc3CC21
InChIInChI=1S/C16H25N3/c1-3-8-19-9-4-5-13-10-14-12(11-15(13)19)6-7-16(17-2)18-14/h6-7,13,15H,3-5,8-11H2,1-2H3,(H,17,18)
InChIKeyCYJNWCSYUPWLBA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine

N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine (PubChem CID 14837425) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
PubChem CID14837425
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
SMILESCCCN1CCCC2Cc3nc(NC)ccc3CC21
InChIInChI=1S/C16H25N3/c1-3-8-19-9-4-5-13-10-14-12(11-15(13)19)6-7-16(17-2)18-14/h6-7,13,15H,3-5,8-11H2,1-2H3,(H,17,18)
InChIKeyCYJNWCSYUPWLBA-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
The IUPAC name of N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine (CID 14837425) is N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine.
What is the SMILES notation for N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
The canonical SMILES for N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine is CCCN1CCCC2Cc3nc(NC)ccc3CC21.
What is the InChIKey of N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
The InChIKey is CYJNWCSYUPWLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-8-19-9-4-5-13-10-14-12(11-15(13)19)6-7-16(17-2)18-14/h6-7,13,15H,3-5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine is sourced from PubChem (CID 14837425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).