4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile

C10H14N2 — CID 142860669

IUPAC4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCCNC1=C(C)C=C(C#N)CC1
InChIInChI=1S/C10H14N2/c1-3-12-10-5-4-9(7-11)6-8(10)2/h6,12H,3-5H2,1-2H3
InChIKeyDYNAQCSRFUKZHY-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.11
Rot. Bonds2

About 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile

4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile (PubChem CID 142860669) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile
PubChem CID142860669
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCCNC1=C(C)C=C(C#N)CC1
InChIInChI=1S/C10H14N2/c1-3-12-10-5-4-9(7-11)6-8(10)2/h6,12H,3-5H2,1-2H3
InChIKeyDYNAQCSRFUKZHY-UHFFFAOYSA-N
XLogP2.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2R)-2-methylbutyl]amino]-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
CID 144950941
2-Fluoro-5-(methylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 163523076
(Z)-2-[1-(4-fluoro-2-methylidenepentyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hept-2-enenitrile
CID 167298024
3-Fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile
CID 154689470
(Z)-3-[2-(butylamino)cyclopenten-1-yl]-2-isocyanoprop-2-enenitrile
CID 59927449
5,6-Dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 69510805
2-(Ethylamino)cyclohexa-2,4-diene-1-carbonitrile
CID 70333080
N-ethyl-3,4-dimethylcyclohexa-1,3-dien-1-amine
CID 70336719
5-Amino-4-(propylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 89014244
3-[3-(Dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine
CID 89060804
(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine
CID 89222218
6-ethenyl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 89227121

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile (CID 142860669) is 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile is CCNC1=C(C)C=C(C#N)CC1.
What is the InChIKey of 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is DYNAQCSRFUKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-12-10-5-4-9(7-11)6-8(10)2/h6,12H,3-5H2,1-2H3.
What are the key properties of 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile?
4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methylcyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 142860669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).