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

C13H26N2 — CID 2845835

IUPACN'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)CC1CC=CCC1
InChIInChI=1S/C13H26N2/c1-4-15(11-10-14(2)3)12-13-8-6-5-7-9-13/h5-6,13H,4,7-12H2,1-3H3
InChIKeyTYULUULBIDGUSZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds6

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

N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 2845835) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID2845835
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)CC1CC=CCC1
InChIInChI=1S/C13H26N2/c1-4-15(11-10-14(2)3)12-13-8-6-5-7-9-13/h5-6,13H,4,7-12H2,1-3H3
InChIKeyTYULUULBIDGUSZ-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
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'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 2845835) is N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCN(CCN(C)C)CC1CC=CCC1.
What is the InChIKey of N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is TYULUULBIDGUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-15(11-10-14(2)3)12-13-8-6-5-7-9-13/h5-6,13H,4,7-12H2,1-3H3.
What are the key properties of N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 6 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'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 2845835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).