trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine

C10H21NO — CID 142750709

IUPACtrans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOC(C)(C)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C10H21NO/c1-10(2,12-3)8-5-4-6-9(11)7-8/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/s1
InChIKeyKSOAACWRXXMCNE-RKDXNWHRSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds2

About trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine

trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine (PubChem CID 142750709) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine
PubChem CID142750709
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOC(C)(C)[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C10H21NO/c1-10(2,12-3)8-5-4-6-9(11)7-8/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/s1
InChIKeyKSOAACWRXXMCNE-RKDXNWHRSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,3S)-3-aminocyclohexyl]propan-2-ol
CID 121313886
4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031844
4-Methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031870
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031991
1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentan-1-amine
CID 103032005
1-(3,3-Difluorocyclohexyl)-4-methoxy-4-methylpentan-1-amine
CID 114215905
4-Fluoro-4-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 116092505
3-Fluoro-3-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 116092523
4-Fluoro-4-(4-methoxybutan-2-yl)cyclohexan-1-amine
CID 116500614
3-Fluoro-3-(4-methoxybutan-2-yl)cyclohexan-1-amine
CID 116500632
3-(Methoxymethyl)cyclohexan-1-amine
CID 12450322
3-(4-Methyloxan-2-yl)cyclohexan-1-amine
CID 20472915

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine (CID 142750709) is trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine is COC(C)(C)[C@@H]1CCC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine?
The InChIKey is KSOAACWRXXMCNE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,12-3)8-5-4-6-9(11)7-8/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine?
trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 142750709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).