trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine

C12H19N — CID 67888872

IUPACtrans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine
SMILESC=CC1C[C@H](C=C)CC[C@]1(N)C=C
InChIInChI=1S/C12H19N/c1-4-10-7-8-12(13,6-3)11(5-2)9-10/h4-6,10-11H,1-3,7-9,13H2/t10-,11?,12-/m1/s1
InChIKeyNZFSZLDMQXUIEL-IGBJHFKCSA-N
MW177.29 g/mol
LogP2.66
Rot. Bonds3

About trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine

trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine (PubChem CID 67888872) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine
PubChem CID67888872
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nametrans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine
SMILESC=CC1C[C@H](C=C)CC[C@]1(N)C=C
InChIInChI=1S/C12H19N/c1-4-10-7-8-12(13,6-3)11(5-2)9-10/h4-6,10-11H,1-3,7-9,13H2/t10-,11?,12-/m1/s1
InChIKeyNZFSZLDMQXUIEL-IGBJHFKCSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine (CID 67888872) is trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine is C=CC1C[C@H](C=C)CC[C@]1(N)C=C.
What is the InChIKey of trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine?
The InChIKey is NZFSZLDMQXUIEL-IGBJHFKCSA-N. The full InChI is InChI=1S/C12H19N/c1-4-10-7-8-12(13,6-3)11(5-2)9-10/h4-6,10-11H,1-3,7-9,13H2/t10-,11?,12-/m1/s1.
What are the key properties of trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine?
trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4R)-1,2,4-tris(ethenyl)cyclohexan-1-amine is sourced from PubChem (CID 67888872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).