2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

C10H14N2 — CID 129066682

IUPAC2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=C(N)C=C(C(=C)C)CC1
InChIInChI=1S/C10H14N2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h5-6,11H,1,3-4,12H2,2H3/b11-6+
InChIKeyITMSZONAFDRCQF-IZZDOVSWSA-N
MW162.24 g/mol
LogP2.15
Rot. Bonds2

About 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 129066682) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID129066682
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=C(N)C=C(C(=C)C)CC1
InChIInChI=1S/C10H14N2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h5-6,11H,1,3-4,12H2,2H3/b11-6+
InChIKeyITMSZONAFDRCQF-IZZDOVSWSA-N
XLogP2.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine
CID 20714555
(3-Methanimidoylcyclohex-2-en-1-ylidene)methanamine
CID 59977240
(3Z,5E)-4-methanimidoylhepta-1,3,5-trien-3-amine
CID 126633066
(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine
CID 126687195
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
CID 130241556
(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 134415586
(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
CID 134525597
2-[(E)-3-methyliminoprop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 141923207
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine;molecular hydrogen
CID 142083618
6-Methanimidoylcyclohexa-1,5-dien-1-amine
CID 142103720
ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine
CID 142972764
(3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine
CID 143020948

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (CID 129066682) is 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is [H]/N=C/C1=C(N)C=C(C(=C)C)CC1.
What is the InChIKey of 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is ITMSZONAFDRCQF-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h5-6,11H,1,3-4,12H2,2H3/b11-6+.
What are the key properties of 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 129066682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).