4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine

C16H27N — CID 139420160

IUPAC4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine
SMILESC=C/C(=C\C(C)=C/C)NC1CCC(CC)CC1
InChIInChI=1S/C16H27N/c1-5-13(4)12-15(7-3)17-16-10-8-14(6-2)9-11-16/h5,7,12,14,16-17H,3,6,8-11H2,1-2,4H3/b13-5-,15-12+
InChIKeyVYJDCNZUJRKMEN-KCZMMKFVSA-N
MW233.40 g/mol
LogP4.58
Rot. Bonds5

About 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine

4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine (PubChem CID 139420160) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine
PubChem CID139420160
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine
SMILESC=C/C(=C\C(C)=C/C)NC1CCC(CC)CC1
InChIInChI=1S/C16H27N/c1-5-13(4)12-15(7-3)17-16-10-8-14(6-2)9-11-16/h5,7,12,14,16-17H,3,6,8-11H2,1-2,4H3/b13-5-,15-12+
InChIKeyVYJDCNZUJRKMEN-KCZMMKFVSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine (CID 139420160) is 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine is C=C/C(=C\C(C)=C/C)NC1CCC(CC)CC1.
What is the InChIKey of 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine?
The InChIKey is VYJDCNZUJRKMEN-KCZMMKFVSA-N. The full InChI is InChI=1S/C16H27N/c1-5-13(4)12-15(7-3)17-16-10-8-14(6-2)9-11-16/h5,7,12,14,16-17H,3,6,8-11H2,1-2,4H3/b13-5-,15-12+.
What are the key properties of 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine?
4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 139420160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).