N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine

C16H32N2 — CID 70539146

IUPACN'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine
SMILESNC=CCCCCCCNCCC1CCCCC1
InChIInChI=1S/C16H32N2/c17-13-8-3-1-2-4-9-14-18-15-12-16-10-6-5-7-11-16/h8,13,16,18H,1-7,9-12,14-15,17H2
InChIKeySTVCSFVGVDGZCE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.97
Rot. Bonds10

About N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine

N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine (PubChem CID 70539146) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine.

Molecular Properties

Compound NameN'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine
PubChem CID70539146
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine
SMILESNC=CCCCCCCNCCC1CCCCC1
InChIInChI=1S/C16H32N2/c17-13-8-3-1-2-4-9-14-18-15-12-16-10-6-5-7-11-16/h8,13,16,18H,1-7,9-12,14-15,17H2
InChIKeySTVCSFVGVDGZCE-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine?
The IUPAC name of N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine (CID 70539146) is N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine.
What is the SMILES notation for N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine?
The canonical SMILES for N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine is NC=CCCCCCCNCCC1CCCCC1.
What is the InChIKey of N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine?
The InChIKey is STVCSFVGVDGZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c17-13-8-3-1-2-4-9-14-18-15-12-16-10-6-5-7-11-16/h8,13,16,18H,1-7,9-12,14-15,17H2.
What are the key properties of N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine?
N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexylethyl)oct-1-ene-1,8-diamine is sourced from PubChem (CID 70539146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).