6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine

C10H16N2 — CID 146430751

IUPAC6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=CCCC(C(C)C)=C1N
InChIInChI=1S/C10H16N2/c1-7(2)9-5-3-4-8(6-11)10(9)12/h4,6-7,11H,3,5,12H2,1-2H3/b11-6+
InChIKeyRDIHJXKBHXRUDO-IZZDOVSWSA-N
MW164.25 g/mol
LogP2.22
Rot. Bonds2

About 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine

6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 146430751) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID146430751
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=CCCC(C(C)C)=C1N
InChIInChI=1S/C10H16N2/c1-7(2)9-5-3-4-8(6-11)10(9)12/h4,6-7,11H,3,5,12H2,1-2H3/b11-6+
InChIKeyRDIHJXKBHXRUDO-IZZDOVSWSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.22
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

(2Z)-5-methyl-2-(2-methylpropyl)hexa-2,4-dien-1-imine
CID 89771741
(2Z,4Z)-2,4-dimethyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 89892212
2-Methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 129066682
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
CID 130241556
(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
CID 134525597
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine;molecular hydrogen
CID 142083618
N-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-2-methylprop-2-en-1-imine
CID 142851395
ethane;(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255280
Ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine
CID 143255293
Ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen
CID 143703759
(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
CID 144877715
Ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 144895641

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 146430751) is 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine is [H]/N=C/C1=CCCC(C(C)C)=C1N.
What is the InChIKey of 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is RDIHJXKBHXRUDO-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)9-5-3-4-8(6-11)10(9)12/h4,6-7,11H,3,5,12H2,1-2H3/b11-6+.
What are the key properties of 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine?
6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146430751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).