trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine

C12H25N — CID 58431838

IUPACtrans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)[C@H]1CCCC[C@@H]1C(C)(C)C
InChIInChI=1S/C12H25N/c1-12(2,3)10-8-6-7-9-11(10)13(4)5/h10-11H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyBGMMBRZNXAQVHQ-QWRGUYRKSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds1

About trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine

trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine (PubChem CID 58431838) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
PubChem CID58431838
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nametrans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)[C@H]1CCCC[C@@H]1C(C)(C)C
InChIInChI=1S/C12H25N/c1-12(2,3)10-8-6-7-9-11(10)13(4)5/h10-11H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyBGMMBRZNXAQVHQ-QWRGUYRKSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 115318685
2-(2-aminopropan-2-yl)-N,N-dimethylcyclobutan-1-amine
CID 166979809
[2-(dimethylamino)cyclohexyl]-diphenylmethanol
CID 11971775
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol
CID 157254014
2-[(2-tert-butylcyclohexyl)-ethylamino]-2-methylpropanoic acid
CID 65061717
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299503
trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
CID 46941649
2-tert-butylcyclohexan-1-amine;methane
CID 158774532
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine (CID 58431838) is trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine is CN(C)[C@H]1CCCC[C@@H]1C(C)(C)C.
What is the InChIKey of trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine?
The InChIKey is BGMMBRZNXAQVHQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2,3)10-8-6-7-9-11(10)13(4)5/h10-11H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine?
trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 58431838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).