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

C18H35N3 — CID 81199474

IUPAC[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
SMILESCN1CCCC2CN(C3(CN)CCCC(C)(C)C3)CCC21
InChIInChI=1S/C18H35N3/c1-17(2)8-5-9-18(13-17,14-19)21-11-7-16-15(12-21)6-4-10-20(16)3/h15-16H,4-14,19H2,1-3H3
InChIKeyMWINYIIYUXBGRV-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.70
Rot. Bonds2

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

[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine (PubChem CID 81199474) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
PubChem CID81199474
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
SMILESCN1CCCC2CN(C3(CN)CCCC(C)(C)C3)CCC21
InChIInChI=1S/C18H35N3/c1-17(2)8-5-9-18(13-17,14-19)21-11-7-16-15(12-21)6-4-10-20(16)3/h15-16H,4-14,19H2,1-3H3
InChIKeyMWINYIIYUXBGRV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
The IUPAC name of [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine (CID 81199474) is [3,3-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 [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine is CN1CCCC2CN(C3(CN)CCCC(C)(C)C3)CCC21.
What is the InChIKey of [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
The InChIKey is MWINYIIYUXBGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-17(2)8-5-9-18(13-17,14-19)21-11-7-16-15(12-21)6-4-10-20(16)3/h15-16H,4-14,19H2,1-3H3.
What are the key properties of [3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine?
[3,3-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 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-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 81199474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).