N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine

C12H24N2 — CID 2846179

IUPACN'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h4-5,12H,6-11H2,1-3H3
InChIKeyGACWGUYXVNKKDR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.84
Rot. Bonds5

About N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 2846179) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID2846179
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h4-5,12H,6-11H2,1-3H3
InChIKeyGACWGUYXVNKKDR-UHFFFAOYSA-N
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 2846179) is N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1CC=CCC1.
What is the InChIKey of N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GACWGUYXVNKKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h4-5,12H,6-11H2,1-3H3.
What are the key properties of N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-en-1-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 2846179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).