trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine

C14H29N — CID 155001178

IUPACtrans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)C[C@]1(N)C(C)CCC[C@@H]1CC
InChIInChI=1S/C14H29N/c1-5-11(3)10-14(15)12(4)8-7-9-13(14)6-2/h11-13H,5-10,15H2,1-4H3/t11?,12?,13-,14-/m0/s1
InChIKeyRHDBHGCIDNLZDO-HOAMVYINSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds4

About trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine

trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine (PubChem CID 155001178) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine
PubChem CID155001178
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nametrans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)C[C@]1(N)C(C)CCC[C@@H]1CC
InChIInChI=1S/C14H29N/c1-5-11(3)10-14(15)12(4)8-7-9-13(14)6-2/h11-13H,5-10,15H2,1-4H3/t11?,12?,13-,14-/m0/s1
InChIKeyRHDBHGCIDNLZDO-HOAMVYINSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine (CID 155001178) is trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine is CCC(C)C[C@]1(N)C(C)CCC[C@@H]1CC.
What is the InChIKey of trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine?
The InChIKey is RHDBHGCIDNLZDO-HOAMVYINSA-N. The full InChI is InChI=1S/C14H29N/c1-5-11(3)10-14(15)12(4)8-7-9-13(14)6-2/h11-13H,5-10,15H2,1-4H3/t11?,12?,13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine?
trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-ethyl-6-methyl-1-(2-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 155001178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).