(E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine

C15H24N2 — CID 134594200

IUPAC(E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine
SMILESC/N=C(C1=C(C)CCC(C)=C1)/C(N)=C\C(C)C
InChIInChI=1S/C15H24N2/c1-10(2)8-14(16)15(17-5)13-9-11(3)6-7-12(13)4/h8-10H,6-7,16H2,1-5H3/b14-8+,17-15+
InChIKeyFDVBSKJGEPARPR-AKPNXNASSA-N
MW232.37 g/mol
LogP3.61
Rot. Bonds3

About (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine

(E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine (PubChem CID 134594200) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine
PubChem CID134594200
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine
SMILESC/N=C(C1=C(C)CCC(C)=C1)/C(N)=C\C(C)C
InChIInChI=1S/C15H24N2/c1-10(2)8-14(16)15(17-5)13-9-11(3)6-7-12(13)4/h8-10H,6-7,16H2,1-5H3/b14-8+,17-15+
InChIKeyFDVBSKJGEPARPR-AKPNXNASSA-N
XLogP3.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876700
(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876767
2-N,3,6-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89181403
1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
CID 123651522
(Z)-6-N,3,4-trimethylidenehept-5-ene-2,6-diimine
CID 131966680
3-butyl-4-methyl-2H-1,5-benzodiazepin-8-amine
CID 134312135
5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine
CID 139381406
8-Methyl-2,3-dihydroquinolin-5-amine
CID 140434128
4-(C,N-dimethylcarbonimidoyl)cyclohexa-1,3-dien-1-amine;hydrate
CID 141774719
1-(4-but-1-en-2-yl-2-methylidene-3H-pyridin-6-yl)ethenamine;N-methylpropan-2-imine
CID 143344050
Ethane;6-ethenylimino-5-methylidenecyclohexa-1,3-diene-1,2-diamine
CID 144288507
2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine
CID 145474710

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine?
The IUPAC name of (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine (CID 134594200) is (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine.
What is the SMILES notation for (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine?
The canonical SMILES for (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine is C/N=C(C1=C(C)CCC(C)=C1)/C(N)=C\C(C)C.
What is the InChIKey of (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine?
The InChIKey is FDVBSKJGEPARPR-AKPNXNASSA-N. The full InChI is InChI=1S/C15H24N2/c1-10(2)8-14(16)15(17-5)13-9-11(3)6-7-12(13)4/h8-10H,6-7,16H2,1-5H3/b14-8+,17-15+.
What are the key properties of (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine?
(E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-4-methyl-1-methyliminopent-2-en-2-amine is sourced from PubChem (CID 134594200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).