cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine

C9H19N — CID 55288298

IUPACcis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
SMILESCN[C@]1(C)CCC[C@@H](C)C1
InChIInChI=1S/C9H19N/c1-8-5-4-6-9(2,7-8)10-3/h8,10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyZOKIGZUBRCHNOS-RKDXNWHRSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds1

About cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine

cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine (PubChem CID 55288298) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
PubChem CID55288298
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Namecis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
SMILESCN[C@]1(C)CCC[C@@H](C)C1
InChIInChI=1S/C9H19N/c1-8-5-4-6-9(2,7-8)10-3/h8,10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyZOKIGZUBRCHNOS-RKDXNWHRSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,1,3-trimethylcyclobutan-1-amine
CID 146805170
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
CID 173230586
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
isothiocyanic acid;1,1,3-trimethylcyclohexane
CID 87950193
1,1-diethyl-3-methylcyclohexane
CID 19090157
1,1,5-trimethylcycloundecane
CID 161434950

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine (CID 55288298) is cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine is CN[C@]1(C)CCC[C@@H](C)C1.
What is the InChIKey of cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine?
The InChIKey is ZOKIGZUBRCHNOS-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19N/c1-8-5-4-6-9(2,7-8)10-3/h8,10H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine?
cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 55288298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).