5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine

C17H33N — CID 54380899

IUPAC5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine
SMILESCCCCCC=CC1CC(N(C)C)C(C)CC1C
InChIInChI=1S/C17H33N/c1-6-7-8-9-10-11-16-13-17(18(4)5)15(3)12-14(16)2/h10-11,14-17H,6-9,12-13H2,1-5H3
InChIKeyUZUZBPCJCVXVGL-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.74
Rot. Bonds6

About 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine

5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine (PubChem CID 54380899) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine
PubChem CID54380899
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine
SMILESCCCCCC=CC1CC(N(C)C)C(C)CC1C
InChIInChI=1S/C17H33N/c1-6-7-8-9-10-11-16-13-17(18(4)5)15(3)12-14(16)2/h10-11,14-17H,6-9,12-13H2,1-5H3
InChIKeyUZUZBPCJCVXVGL-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine?
The IUPAC name of 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine (CID 54380899) is 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine?
The canonical SMILES for 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine is CCCCCC=CC1CC(N(C)C)C(C)CC1C.
What is the InChIKey of 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine?
The InChIKey is UZUZBPCJCVXVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-6-7-8-9-10-11-16-13-17(18(4)5)15(3)12-14(16)2/h10-11,14-17H,6-9,12-13H2,1-5H3.
What are the key properties of 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine?
5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 54380899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).