2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine

C13H25N3 — CID 163181241

IUPAC2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCN1CCC2NC3CCCCC3C(N)C2C1
InChIInChI=1S/C13H25N3/c1-16-7-6-12-10(8-16)13(14)9-4-2-3-5-11(9)15-12/h9-13,15H,2-8,14H2,1H3
InChIKeyMXSRMIJXHZUZII-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.80
Rot. Bonds

About 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine

2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine (PubChem CID 163181241) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine
PubChem CID163181241
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCN1CCC2NC3CCCCC3C(N)C2C1
InChIInChI=1S/C13H25N3/c1-16-7-6-12-10(8-16)13(14)9-4-2-3-5-11(9)15-12/h9-13,15H,2-8,14H2,1H3
InChIKeyMXSRMIJXHZUZII-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine with MolForge

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Related Compounds

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ethane;1-methylpiperidin-4-amine
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(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)piperidin-4-amine
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(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
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CID 163165210
bicyclo[6.1.0]nonan-9-amine
CID 55288804
(1R,6S)-7-azabicyclo[4.1.0]heptane
CID 637980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The IUPAC name of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine (CID 163181241) is 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine.
What is the SMILES notation for 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The canonical SMILES for 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine is CN1CCC2NC3CCCCC3C(N)C2C1.
What is the InChIKey of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The InChIKey is MXSRMIJXHZUZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-16-7-6-12-10(8-16)13(14)9-4-2-3-5-11(9)15-12/h9-13,15H,2-8,14H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine?
2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine has a molecular weight of 223.36 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine is sourced from PubChem (CID 163181241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).