(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine

C12H20N2 — CID 91514458

IUPAC(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
SMILESC/C=N/C(=C\C/C(=N\C)C1CC1)CC
InChIInChI=1S/C12H20N2/c1-4-11(14-5-2)8-9-12(13-3)10-6-7-10/h5,8,10H,4,6-7,9H2,1-3H3/b11-8-,13-12+,14-5+
InChIKeyQTPZVVUKELJVHX-BXLYSKSOSA-N
MW192.31 g/mol
LogP3.24
Rot. Bonds5

About (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine

(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine (PubChem CID 91514458) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
PubChem CID91514458
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
SMILESC/C=N/C(=C\C/C(=N\C)C1CC1)CC
InChIInChI=1S/C12H20N2/c1-4-11(14-5-2)8-9-12(13-3)10-6-7-10/h5,8,10H,4,6-7,9H2,1-3H3/b11-8-,13-12+,14-5+
InChIKeyQTPZVVUKELJVHX-BXLYSKSOSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.24
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

(E)-2-(1-cyclopropylpropan-2-ylidene)-4-fluoro-1-N-methyl-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine
CID 173970822
3,5,7-Trimethyl-5-(3-methylbutyl)-1,4-diazepine
CID 91042445
N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine
CID 91394560
4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine
CID 123416849
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
CID 130255115
N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
CID 142610613
3,7-dimethyl-4,5-dihydro-3H-azepine;ethane
CID 144318036
N-[(3Z,6Z)-6-cyclopropyl-2,5-dimethylnona-1,3,6-trien-3-yl]ethanimine
CID 146240114
5,7-dimethyl-4,5-dihydro-3H-azepine
CID 153646017

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine?
The IUPAC name of (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine (CID 91514458) is (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine?
The canonical SMILES for (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine is C/C=N/C(=C\C/C(=N\C)C1CC1)CC.
What is the InChIKey of (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine?
The InChIKey is QTPZVVUKELJVHX-BXLYSKSOSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(14-5-2)8-9-12(13-3)10-6-7-10/h5,8,10H,4,6-7,9H2,1-3H3/b11-8-,13-12+,14-5+.
What are the key properties of (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine?
(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine is sourced from PubChem (CID 91514458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).