N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine

C15H31N3 — CID 81206388

IUPACN,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
SMILESCNCC(C)C(C)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H31N3/c1-12(10-16-3)13(2)18-9-7-15-14(11-18)6-5-8-17(15)4/h12-16H,5-11H2,1-4H3
InChIKeyKBUMFFOVDJDQTF-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds4

About N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine

N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine (PubChem CID 81206388) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
PubChem CID81206388
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
SMILESCNCC(C)C(C)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H31N3/c1-12(10-16-3)13(2)18-9-7-15-14(11-18)6-5-8-17(15)4/h12-16H,5-11H2,1-4H3
InChIKeyKBUMFFOVDJDQTF-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N,2-dimethylbutan-1-amine
CID 115562266
3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022
3-methoxy-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propan-2-ylpropan-1-amine
CID 103227037
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
CID 81194990
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylbutan-1-amine
CID 81206322
N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine
CID 81199005
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanethioamide
CID 81199763
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)octan-1-amine
CID 81198327
N-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81199336
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid
CID 81199050

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine (CID 81206388) is N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine is CNCC(C)C(C)N1CCC2C(CCCN2C)C1.
What is the InChIKey of N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
The InChIKey is KBUMFFOVDJDQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(10-16-3)13(2)18-9-7-15-14(11-18)6-5-8-17(15)4/h12-16H,5-11H2,1-4H3.
What are the key properties of N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine is sourced from PubChem (CID 81206388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).