(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine

C9H19NO — CID 143150213

IUPAC(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
SMILESCN[C@H]1C[C@@H](C)C[C@@H](OC)C1
InChIInChI=1S/C9H19NO/c1-7-4-8(10-2)6-9(5-7)11-3/h7-10H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyMQZDMDJDWLPQIE-HRDYMLBCSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds2

About (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine

(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine (PubChem CID 143150213) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
PubChem CID143150213
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
SMILESCN[C@H]1C[C@@H](C)C[C@@H](OC)C1
InChIInChI=1S/C9H19NO/c1-7-4-8(10-2)6-9(5-7)11-3/h7-10H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyMQZDMDJDWLPQIE-HRDYMLBCSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine
CID 123845300
N-(3-methoxycyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609748
3-methoxy-N-methyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 106874353
N-ethyl-3-methoxy-1-(trifluoromethyl)cyclohexan-1-amine
CID 106874355
3-methoxy-N-propyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 106874357
1-(difluoromethyl)-3-methoxy-N-methylcyclohexan-1-amine
CID 106874361
1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine
CID 106874363
1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106874365
3,3-Dimethyl-5-(methylamino)cyclohexan-1-ol
CID 58236086
5-Methoxy-3,3-dimethylcyclohexan-1-amine
CID 90019438
cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine
CID 90063127
1-(4-methoxycyclohexyl)-N-methylbutan-1-amine
CID 104459479

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine (CID 143150213) is (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine is CN[C@H]1C[C@@H](C)C[C@@H](OC)C1.
What is the InChIKey of (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine?
The InChIKey is MQZDMDJDWLPQIE-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-4-8(10-2)6-9(5-7)11-3/h7-10H,4-6H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine?
(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 143150213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).