1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine

C15H30N4 — CID 143683077

IUPAC1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine
SMILESC=CCC1=CN(C)CN1C.CNC1CCC(N)CC1
InChIInChI=1S/C8H14N2.C7H16N2/c1-4-5-8-6-9(2)7-10(8)3;1-9-7-4-2-6(8)3-5-7/h4,6H,1,5,7H2,2-3H3;6-7,9H,2-5,8H2,1H3
InChIKeyHMOKVCHEJTUJAX-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.71
Rot. Bonds3

About 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine

1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine (PubChem CID 143683077) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine
PubChem CID143683077
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine
SMILESC=CCC1=CN(C)CN1C.CNC1CCC(N)CC1
InChIInChI=1S/C8H14N2.C7H16N2/c1-4-5-8-6-9(2)7-10(8)3;1-9-7-4-2-6(8)3-5-7/h4,6H,1,5,7H2,2-3H3;6-7,9H,2-5,8H2,1H3
InChIKeyHMOKVCHEJTUJAX-UHFFFAOYSA-N
XLogP1.71
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine (CID 143683077) is 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine is C=CCC1=CN(C)CN1C.CNC1CCC(N)CC1.
What is the InChIKey of 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine?
The InChIKey is HMOKVCHEJTUJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H16N2/c1-4-5-8-6-9(2)7-10(8)3;1-9-7-4-2-6(8)3-5-7/h4,6H,1,5,7H2,2-3H3;6-7,9H,2-5,8H2,1H3.
What are the key properties of 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine?
1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine has a molecular weight of 266.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-prop-2-enyl-2H-imidazole;4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 143683077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).