N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine

C11H22N2 — CID 114620612

IUPACN'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)C1C=CCCC1
InChIInChI=1S/C11H22N2/c1-12-9-6-10-13(2)11-7-4-3-5-8-11/h4,7,11-12H,3,5-6,8-10H2,1-2H3
InChIKeyAMFMXICJXUXUGH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds5

About N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine

N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 114620612) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine
PubChem CID114620612
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)C1C=CCCC1
InChIInChI=1S/C11H22N2/c1-12-9-6-10-13(2)11-7-4-3-5-8-11/h4,7,11-12H,3,5-6,8-10H2,1-2H3
InChIKeyAMFMXICJXUXUGH-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine (CID 114620612) is N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)C1C=CCCC1.
What is the InChIKey of N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is AMFMXICJXUXUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-9-6-10-13(2)11-7-4-3-5-8-11/h4,7,11-12H,3,5-6,8-10H2,1-2H3.
What are the key properties of N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine?
N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114620612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).