N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine

C12H18N2 — CID 143175953

IUPACN-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine
SMILESC=C(C)/C(C)=N\N(C)C1=CC=CCC1
InChIInChI=1S/C12H18N2/c1-10(2)11(3)13-14(4)12-8-6-5-7-9-12/h5-6,8H,1,7,9H2,2-4H3/b13-11-
InChIKeyGATRDEMWRCTGOA-QBFSEMIESA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds3

About N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine

N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine (PubChem CID 143175953) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine
PubChem CID143175953
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine
SMILESC=C(C)/C(C)=N\N(C)C1=CC=CCC1
InChIInChI=1S/C12H18N2/c1-10(2)11(3)13-14(4)12-8-6-5-7-9-12/h5-6,8H,1,7,9H2,2-4H3/b13-11-
InChIKeyGATRDEMWRCTGOA-QBFSEMIESA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine (CID 143175953) is N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine is C=C(C)/C(C)=N\N(C)C1=CC=CCC1.
What is the InChIKey of N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine?
The InChIKey is GATRDEMWRCTGOA-QBFSEMIESA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)11(3)13-14(4)12-8-6-5-7-9-12/h5-6,8H,1,7,9H2,2-4H3/b13-11-.
What are the key properties of N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine?
N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine has a molecular weight of 190.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143175953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).