N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine

C19H33N — CID 129019219

IUPACN-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine
SMILESC=C/C=C\C(=C/C)C1CC(NCC)CC(C)(CCC)C1
InChIInChI=1S/C19H33N/c1-6-10-11-16(8-3)17-13-18(20-9-4)15-19(5,14-17)12-7-2/h6,8,10-11,17-18,20H,1,7,9,12-15H2,2-5H3/b11-10-,16-8+
InChIKeyQGLXFZCJEPBFPV-TZINGHKZSA-N
MW275.48 g/mol
LogP5.26
Rot. Bonds7

About N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine

N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine (PubChem CID 129019219) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine
PubChem CID129019219
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine
SMILESC=C/C=C\C(=C/C)C1CC(NCC)CC(C)(CCC)C1
InChIInChI=1S/C19H33N/c1-6-10-11-16(8-3)17-13-18(20-9-4)15-19(5,14-17)12-7-2/h6,8,10-11,17-18,20H,1,7,9,12-15H2,2-5H3/b11-10-,16-8+
InChIKeyQGLXFZCJEPBFPV-TZINGHKZSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.26
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 N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine (CID 129019219) is N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine is C=C/C=C\C(=C/C)C1CC(NCC)CC(C)(CCC)C1.
What is the InChIKey of N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine?
The InChIKey is QGLXFZCJEPBFPV-TZINGHKZSA-N. The full InChI is InChI=1S/C19H33N/c1-6-10-11-16(8-3)17-13-18(20-9-4)15-19(5,14-17)12-7-2/h6,8,10-11,17-18,20H,1,7,9,12-15H2,2-5H3/b11-10-,16-8+.
What are the key properties of N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine?
N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-3-propylcyclohexan-1-amine is sourced from PubChem (CID 129019219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).