trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine

C12H25N — CID 10751375

IUPACtrans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine
SMILESCCC[C@@H]1CC(C)(C)C[C@@](C)(N)C1
InChIInChI=1S/C12H25N/c1-5-6-10-7-11(2,3)9-12(4,13)8-10/h10H,5-9,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyOAYVYBGHCQMGCP-PWSUYJOCSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds2

About trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine

trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine (PubChem CID 10751375) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine
PubChem CID10751375
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nametrans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine
SMILESCCC[C@@H]1CC(C)(C)C[C@@](C)(N)C1
InChIInChI=1S/C12H25N/c1-5-6-10-7-11(2,3)9-12(4,13)8-10/h10H,5-9,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyOAYVYBGHCQMGCP-PWSUYJOCSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine?
The IUPAC name of trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine (CID 10751375) is trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine is CCC[C@@H]1CC(C)(C)C[C@@](C)(N)C1.
What is the InChIKey of trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine?
The InChIKey is OAYVYBGHCQMGCP-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H25N/c1-5-6-10-7-11(2,3)9-12(4,13)8-10/h10H,5-9,13H2,1-4H3/t10-,12+/m1/s1.
What are the key properties of trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine?
trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5R)-1,3,3-trimethyl-5-propylcyclohexan-1-amine is sourced from PubChem (CID 10751375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).