(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine

C12H25N — CID 91301916

IUPAC(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
SMILESCCC1C(C)C(C)C(C)C[C@]1(C)N
InChIInChI=1S/C12H25N/c1-6-11-10(4)9(3)8(2)7-12(11,5)13/h8-11H,6-7,13H2,1-5H3/t8?,9?,10?,11?,12-/m0/s1
InChIKeyLRIOAJYXZZEHFT-SXVYVOEYSA-N
MW183.34 g/mol
LogP3.04
Rot. Bonds1

About (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine

(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine (PubChem CID 91301916) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
PubChem CID91301916
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
SMILESCCC1C(C)C(C)C(C)C[C@]1(C)N
InChIInChI=1S/C12H25N/c1-6-11-10(4)9(3)8(2)7-12(11,5)13/h8-11H,6-7,13H2,1-5H3/t8?,9?,10?,11?,12-/m0/s1
InChIKeyLRIOAJYXZZEHFT-SXVYVOEYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylcyclopropane-1,2-diamine
CID 15182447
3-ethylcyclopropane-1,1,2-triamine
CID 173013949
(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane
CID 163836831
2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
CID 123763247
1-ethyl-2,3-dimethylcyclobutan-1-amine
CID 123756966
3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane
CID 123212061
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
3,4-diethyl-1,3,6-trimethylbicyclo[3.1.0]hexane
CID 158219736
(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine
CID 163983597
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
7-ethyl-1,2,6-trimethylspiro[2.4]heptane
CID 123881031

Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine?
The IUPAC name of (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine (CID 91301916) is (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine is CCC1C(C)C(C)C(C)C[C@]1(C)N.
What is the InChIKey of (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine?
The InChIKey is LRIOAJYXZZEHFT-SXVYVOEYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-11-10(4)9(3)8(2)7-12(11,5)13/h8-11H,6-7,13H2,1-5H3/t8?,9?,10?,11?,12-/m0/s1.
What are the key properties of (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine?
(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 91301916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).