N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine

C18H30FN — CID 139353510

IUPACN-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine
SMILESC/C=C\C=C/C(=C\C)CN(CCC)C1CCCCC1F
InChIInChI=1S/C18H30FN/c1-4-7-8-11-16(6-3)15-20(14-5-2)18-13-10-9-12-17(18)19/h4,6-8,11,17-18H,5,9-10,12-15H2,1-3H3/b7-4-,11-8-,16-6+
InChIKeyCVXUPUWSQVDDTH-WRQMWTFFSA-N
MW279.44 g/mol
LogP5.06
Rot. Bonds7

About N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine

N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine (PubChem CID 139353510) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine
PubChem CID139353510
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine
SMILESC/C=C\C=C/C(=C\C)CN(CCC)C1CCCCC1F
InChIInChI=1S/C18H30FN/c1-4-7-8-11-16(6-3)15-20(14-5-2)18-13-10-9-12-17(18)19/h4,6-8,11,17-18H,5,9-10,12-15H2,1-3H3/b7-4-,11-8-,16-6+
InChIKeyCVXUPUWSQVDDTH-WRQMWTFFSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
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 N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine?
The IUPAC name of N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine (CID 139353510) is N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine?
The canonical SMILES for N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine is C/C=C\C=C/C(=C\C)CN(CCC)C1CCCCC1F.
What is the InChIKey of N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine?
The InChIKey is CVXUPUWSQVDDTH-WRQMWTFFSA-N. The full InChI is InChI=1S/C18H30FN/c1-4-7-8-11-16(6-3)15-20(14-5-2)18-13-10-9-12-17(18)19/h4,6-8,11,17-18H,5,9-10,12-15H2,1-3H3/b7-4-,11-8-,16-6+.
What are the key properties of N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine?
N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienyl]-2-fluoro-N-propylcyclohexan-1-amine is sourced from PubChem (CID 139353510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).