cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol

C13H31NO — CID 145399725

IUPACcis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol
SMILESCC.CO.C[C@@H]1CC(N(C)C)C[C@H](C)C1
InChIInChI=1S/C10H21N.C2H6.CH4O/c1-8-5-9(2)7-10(6-8)11(3)4;2*1-2/h8-10H,5-7H2,1-4H3;1-2H3;2H,1H3/t8-,9+,10?;;
InChIKeyDWCIVKGCZJADBW-IDWSCOKRSA-N
MW217.40 g/mol
LogP3.01
Rot. Bonds1

About cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol

cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol (PubChem CID 145399725) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol.

Molecular Properties

Compound Namecis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol
PubChem CID145399725
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Namecis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol
SMILESCC.CO.C[C@@H]1CC(N(C)C)C[C@H](C)C1
InChIInChI=1S/C10H21N.C2H6.CH4O/c1-8-5-9(2)7-10(6-8)11(3)4;2*1-2/h8-10H,5-7H2,1-4H3;1-2H3;2H,1H3/t8-,9+,10?;;
InChIKeyDWCIVKGCZJADBW-IDWSCOKRSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N,N,3-trimethylcyclobutan-1-amine
CID 170739396
ethane;N,N,3-trimethylcyclopentan-1-amine
CID 91598782
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
methane;N,N,4-trimethylcyclohexan-1-amine
CID 159051583
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
N,N-diethyl-3-methylcyclobutan-1-amine
CID 123585979
3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide
CID 77054274
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
N,N-dimethylcyclobutanamine;N,N-dimethylmethanamine;ethane
CID 143754899
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
N-(2,2-dimethylpropyl)-N,3-dimethylcyclobutan-1-amine
CID 131161615
ethane;2-methoxy-N,N,6-trimethyloxan-4-amine
CID 143454744

Frequently Asked Questions

What is the IUPAC name of cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol?
The IUPAC name of cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol (CID 145399725) is cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol.
What is the SMILES notation for cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol?
The canonical SMILES for cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol is CC.CO.C[C@@H]1CC(N(C)C)C[C@H](C)C1.
What is the InChIKey of cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol?
The InChIKey is DWCIVKGCZJADBW-IDWSCOKRSA-N. The full InChI is InChI=1S/C10H21N.C2H6.CH4O/c1-8-5-9(2)7-10(6-8)11(3)4;2*1-2/h8-10H,5-7H2,1-4H3;1-2H3;2H,1H3/t8-,9+,10?;;.
What are the key properties of cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol?
cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol has a molecular weight of 217.40 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,5R)-N,N,3,5-tetramethylcyclohexan-1-amine;ethane;methanol is sourced from PubChem (CID 145399725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).