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

C15H23N3 — CID 18640057

IUPAC(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
SMILESCCCN1CCC[C@H]2Cc3nc(N)ccc3C[C@@H]21
InChIInChI=1S/C15H23N3/c1-2-7-18-8-3-4-12-9-13-11(10-14(12)18)5-6-15(16)17-13/h5-6,12,14H,2-4,7-10H2,1H3,(H2,16,17)/t12-,14-/m0/s1
InChIKeyMEXISCNKOYMTKI-JSGCOSHPSA-N
MW245.37 g/mol
LogP2.25
Rot. Bonds2

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

(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine (PubChem CID 18640057) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine.

Molecular Properties

Compound Name(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
PubChem CID18640057
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
SMILESCCCN1CCC[C@H]2Cc3nc(N)ccc3C[C@@H]21
InChIInChI=1S/C15H23N3/c1-2-7-18-8-3-4-12-9-13-11(10-14(12)18)5-6-15(16)17-13/h5-6,12,14H,2-4,7-10H2,1H3,(H2,16,17)/t12-,14-/m0/s1
InChIKeyMEXISCNKOYMTKI-JSGCOSHPSA-N
XLogP2.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
The IUPAC name of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine (CID 18640057) is (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine.
What is the SMILES notation for (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
The canonical SMILES for (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine is CCCN1CCC[C@H]2Cc3nc(N)ccc3C[C@@H]21.
What is the InChIKey of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
The InChIKey is MEXISCNKOYMTKI-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-7-18-8-3-4-12-9-13-11(10-14(12)18)5-6-15(16)17-13/h5-6,12,14H,2-4,7-10H2,1H3,(H2,16,17)/t12-,14-/m0/s1.
What are the key properties of (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine?
(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine is sourced from PubChem (CID 18640057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).