6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine

C14H20ClN3 — CID 115008334

IUPAC6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine
SMILESCN1CCC2C(C1)C(N)c1cccc(Cl)c1N2C
InChIInChI=1S/C14H20ClN3/c1-17-7-6-12-10(8-17)13(16)9-4-3-5-11(15)14(9)18(12)2/h3-5,10,12-13H,6-8,16H2,1-2H3
InChIKeyNVSPYAMPLHJMAB-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.11
Rot. Bonds

About 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine

6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine (PubChem CID 115008334) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine
PubChem CID115008334
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine
SMILESCN1CCC2C(C1)C(N)c1cccc(Cl)c1N2C
InChIInChI=1S/C14H20ClN3/c1-17-7-6-12-10(8-17)13(16)9-4-3-5-11(15)14(9)18(12)2/h3-5,10,12-13H,6-8,16H2,1-2H3
InChIKeyNVSPYAMPLHJMAB-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine (CID 115008334) is 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine is CN1CCC2C(C1)C(N)c1cccc(Cl)c1N2C.
What is the InChIKey of 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine?
The InChIKey is NVSPYAMPLHJMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-17-7-6-12-10(8-17)13(16)9-4-3-5-11(15)14(9)18(12)2/h3-5,10,12-13H,6-8,16H2,1-2H3.
What are the key properties of 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine?
6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine has a molecular weight of 265.79 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine is sourced from PubChem (CID 115008334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).