(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine

C14H20N2 — CID 157043458

IUPAC(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine
SMILESCC/C(C)=C1/C=C(N2CCC2)C=C/C1=N\C
InChIInChI=1S/C14H20N2/c1-4-11(2)13-10-12(16-8-5-9-16)6-7-14(13)15-3/h6-7,10H,4-5,8-9H2,1-3H3/b13-11-,15-14+
InChIKeyNKYRCDSITLEBQX-UNVBMEDASA-N
MW216.33 g/mol
LogP2.94
Rot. Bonds2

About (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine

(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 157043458) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID157043458
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine
SMILESCC/C(C)=C1/C=C(N2CCC2)C=C/C1=N\C
InChIInChI=1S/C14H20N2/c1-4-11(2)13-10-12(16-8-5-9-16)6-7-14(13)15-3/h6-7,10H,4-5,8-9H2,1-3H3/b13-11-,15-14+
InChIKeyNKYRCDSITLEBQX-UNVBMEDASA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-diazo-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 19014007
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651
N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
CID 91390701
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 126636351
N-ethenyl-3,4-dimethyl-1-[(2E)-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-3-methylidenepyrrol-1-yl]pent-3-en-2-imine
CID 130349690
5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine
CID 130443356
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809

Frequently Asked Questions

What is the IUPAC name of (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine (CID 157043458) is (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine is CC/C(C)=C1/C=C(N2CCC2)C=C/C1=N\C.
What is the InChIKey of (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is NKYRCDSITLEBQX-UNVBMEDASA-N. The full InChI is InChI=1S/C14H20N2/c1-4-11(2)13-10-12(16-8-5-9-16)6-7-14(13)15-3/h6-7,10H,4-5,8-9H2,1-3H3/b13-11-,15-14+.
What are the key properties of (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine?
(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 216.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 157043458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).