N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine

C20H35N — CID 90885755

IUPACN-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine
SMILESC=C(C1CCCCCC1)N(C)CCCC(C)=CC=C(C)C
InChIInChI=1S/C20H35N/c1-17(2)14-15-18(3)11-10-16-21(5)19(4)20-12-8-6-7-9-13-20/h14-15,20H,4,6-13,16H2,1-3,5H3
InChIKeyXYWJIXDFVNMGES-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.09
Rot. Bonds7

About N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine

N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine (PubChem CID 90885755) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine.

Molecular Properties

Compound NameN-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine
PubChem CID90885755
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine
SMILESC=C(C1CCCCCC1)N(C)CCCC(C)=CC=C(C)C
InChIInChI=1S/C20H35N/c1-17(2)14-15-18(3)11-10-16-21(5)19(4)20-12-8-6-7-9-13-20/h14-15,20H,4,6-13,16H2,1-3,5H3
InChIKeyXYWJIXDFVNMGES-UHFFFAOYSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.09
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-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine?
The IUPAC name of N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine (CID 90885755) is N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine.
What is the SMILES notation for N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine?
The canonical SMILES for N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine is C=C(C1CCCCCC1)N(C)CCCC(C)=CC=C(C)C.
What is the InChIKey of N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine?
The InChIKey is XYWJIXDFVNMGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-17(2)14-15-18(3)11-10-16-21(5)19(4)20-12-8-6-7-9-13-20/h14-15,20H,4,6-13,16H2,1-3,5H3.
What are the key properties of N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine?
N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylethenyl)-N,4,7-trimethylocta-4,6-dien-1-amine is sourced from PubChem (CID 90885755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).