4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine

C12H18N2 — CID 134547727

IUPAC4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1\C=CC(N(C)C)=CC1(C)/C=C\C
InChIInChI=1S/C12H18N2/c1-5-8-12(2)9-10(14(3)4)6-7-11(12)13/h5-9,13H,1-4H3/b8-5-,13-11+
InChIKeyIVPQSGCAAWMPEF-JXSKNCHLSA-N
MW190.29 g/mol
LogP2.60
Rot. Bonds2

About 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine

4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine (PubChem CID 134547727) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
PubChem CID134547727
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1\C=CC(N(C)C)=CC1(C)/C=C\C
InChIInChI=1S/C12H18N2/c1-5-8-12(2)9-10(14(3)4)6-7-11(12)13/h5-9,13H,1-4H3/b8-5-,13-11+
InChIKeyIVPQSGCAAWMPEF-JXSKNCHLSA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine (CID 134547727) is 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine is [H]/N=C1\C=CC(N(C)C)=CC1(C)/C=C\C.
What is the InChIKey of 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is IVPQSGCAAWMPEF-JXSKNCHLSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-8-12(2)9-10(14(3)4)6-7-11(12)13/h5-9,13H,1-4H3/b8-5-,13-11+.
What are the key properties of 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N,N,3-trimethyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134547727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).