N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine

C11H18N2 — CID 89320042

IUPACN-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine
SMILESC=C(C)C=NN(C)C1C=CCCC1
InChIInChI=1S/C11H18N2/c1-10(2)9-12-13(3)11-7-5-4-6-8-11/h5,7,9,11H,1,4,6,8H2,2-3H3
InChIKeyXULHYVYMYLNTGU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine

N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine (PubChem CID 89320042) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine
PubChem CID89320042
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine
SMILESC=C(C)C=NN(C)C1C=CCCC1
InChIInChI=1S/C11H18N2/c1-10(2)9-12-13(3)11-7-5-4-6-8-11/h5,7,9,11H,1,4,6,8H2,2-3H3
InChIKeyXULHYVYMYLNTGU-UHFFFAOYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine?
The IUPAC name of N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine (CID 89320042) is N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine is C=C(C)C=NN(C)C1C=CCCC1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine?
The InChIKey is XULHYVYMYLNTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(2)9-12-13(3)11-7-5-4-6-8-11/h5,7,9,11H,1,4,6,8H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine?
N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine is sourced from PubChem (CID 89320042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).