1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine

C13H26N2 — CID 79110999

IUPAC1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CC=C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-11(2)9-10-15(4)13-7-5-12(14-3)6-8-13/h9,12-14H,5-8,10H2,1-4H3
InChIKeyGFQBUPOQGJQKIF-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.41
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine (PubChem CID 79110999) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine
PubChem CID79110999
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CC=C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-11(2)9-10-15(4)13-7-5-12(14-3)6-8-13/h9,12-14H,5-8,10H2,1-4H3
InChIKeyGFQBUPOQGJQKIF-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine (CID 79110999) is 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine is CNC1CCC(N(C)CC=C(C)C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine?
The InChIKey is GFQBUPOQGJQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)9-10-15(4)13-7-5-12(14-3)6-8-13/h9,12-14H,5-8,10H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine has a molecular weight of 210.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79110999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).