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

C18H35N3 — CID 81199459

IUPAC[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCC3C(CCCN3C)C2)CC1C
InChIInChI=1S/C18H35N3/c1-14-6-8-18(13-19,11-15(14)2)21-10-7-17-16(12-21)5-4-9-20(17)3/h14-17H,4-13,19H2,1-3H3
InChIKeyMVUBARGZNJPBOB-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.56
Rot. Bonds2

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

[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine (PubChem CID 81199459) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
PubChem CID81199459
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCC3C(CCCN3C)C2)CC1C
InChIInChI=1S/C18H35N3/c1-14-6-8-18(13-19,11-15(14)2)21-10-7-17-16(12-21)5-4-9-20(17)3/h14-17H,4-13,19H2,1-3H3
InChIKeyMVUBARGZNJPBOB-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
The IUPAC name of [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine (CID 81199459) is [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine is CC1CCC(CN)(N2CCC3C(CCCN3C)C2)CC1C.
What is the InChIKey of [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
The InChIKey is MVUBARGZNJPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-14-6-8-18(13-19,11-15(14)2)21-10-7-17-16(12-21)5-4-9-20(17)3/h14-17H,4-13,19H2,1-3H3.
What are the key properties of [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81199459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).