4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol

C16H32N2O — CID 81200552

IUPAC4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
SMILESCN1CCCC2CN(CCC(O)C(C)(C)C)CCC21
InChIInChI=1S/C16H32N2O/c1-16(2,3)15(19)8-11-18-10-7-14-13(12-18)6-5-9-17(14)4/h13-15,19H,5-12H2,1-4H3
InChIKeyCNINLEYHRRYNHH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds3

About 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol

4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol (PubChem CID 81200552) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
PubChem CID81200552
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
SMILESCN1CCCC2CN(CCC(O)C(C)(C)C)CCC21
InChIInChI=1S/C16H32N2O/c1-16(2,3)15(19)8-11-18-10-7-14-13(12-18)6-5-9-17(14)4/h13-15,19H,5-12H2,1-4H3
InChIKeyCNINLEYHRRYNHH-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol with MolForge

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Related Compounds

5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-ol
CID 81198653
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-3-ol
CID 106802468
2-methyl-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]propan-2-amine
CID 81197694
1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 103160150
N-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81199336
2,2-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoic acid
CID 106714107
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)butanenitrile
CID 81199404
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-amine
CID 81199860
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propan-1-ol
CID 81205687
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol (CID 81200552) is 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol is CN1CCCC2CN(CCC(O)C(C)(C)C)CCC21.
What is the InChIKey of 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol?
The InChIKey is CNINLEYHRRYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(2,3)15(19)8-11-18-10-7-14-13(12-18)6-5-9-17(14)4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol?
4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol is sourced from PubChem (CID 81200552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).