3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine

C17H33N3 — CID 163165210

IUPAC3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine
SMILESCN(C)C1NC2CCCCC2C(N)C1C1CCCCC1
InChIInChI=1S/C17H33N3/c1-20(2)17-15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19-17/h12-17,19H,3-11,18H2,1-2H3
InChIKeyJMYKJJHDZGHPTJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.56
Rot. Bonds2

About 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine

3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine (PubChem CID 163165210) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine.

Molecular Properties

Compound Name3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine
PubChem CID163165210
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine
SMILESCN(C)C1NC2CCCCC2C(N)C1C1CCCCC1
InChIInChI=1S/C17H33N3/c1-20(2)17-15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19-17/h12-17,19H,3-11,18H2,1-2H3
InChIKeyJMYKJJHDZGHPTJ-UHFFFAOYSA-N
XLogP2.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine with MolForge

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Related Compounds

3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2,4-diamine
CID 163165209
(1R)-9-amino-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydro-1H-acridin-1-ol
CID 163178155
2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 163181241
2-butyl-3-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine
CID 163133104
2,4-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridin-9-amine
CID 163156045
bicyclo[6.1.0]nonan-9-amine
CID 55288804
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
CID 163165908
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
2-cyclohexylcycloheptan-1-amine
CID 62603079
12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane
CID 147420295
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate
CID 140515362

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine?
The IUPAC name of 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine (CID 163165210) is 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine.
What is the SMILES notation for 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine?
The canonical SMILES for 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine is CN(C)C1NC2CCCCC2C(N)C1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine?
The InChIKey is JMYKJJHDZGHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-20(2)17-15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19-17/h12-17,19H,3-11,18H2,1-2H3.
What are the key properties of 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine?
3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine has a molecular weight of 279.47 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-N,2-N-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2,4-diamine is sourced from PubChem (CID 163165210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).