3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine

C18H35N3 — CID 81200535

IUPAC3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCC3C(CCCN3C)C2)C(N)C1
InChIInChI=1S/C18H35N3/c1-13-9-14(2)16(17(19)10-13)12-21-8-6-18-15(11-21)5-4-7-20(18)3/h13-18H,4-12,19H2,1-3H3
InChIKeyIFEROPRDMOGNLY-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.41
Rot. Bonds2

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

3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine (PubChem CID 81200535) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
PubChem CID81200535
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCC3C(CCCN3C)C2)C(N)C1
InChIInChI=1S/C18H35N3/c1-13-9-14(2)16(17(19)10-13)12-21-8-6-18-15(11-21)5-4-7-20(18)3/h13-18H,4-12,19H2,1-3H3
InChIKeyIFEROPRDMOGNLY-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
CID 81199726
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one
CID 81200334
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
CID 64735469
[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735456
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine (CID 81200535) is 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCC3C(CCCN3C)C2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine?
The InChIKey is IFEROPRDMOGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-13-9-14(2)16(17(19)10-13)12-21-8-6-18-15(11-21)5-4-7-20(18)3/h13-18H,4-12,19H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 81200535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).