4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide

C9H15N3 — CID 123670945

IUPAC4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(CN)CC1C
InChIInChI=1S/C9H15N3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-3,6H,4-5,10H2,1H3,(H3,11,12)
InChIKeyYHVOWCGTPVEJFP-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.77
Rot. Bonds2

About 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide

4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide (PubChem CID 123670945) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Name4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
PubChem CID123670945
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(CN)CC1C
InChIInChI=1S/C9H15N3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-3,6H,4-5,10H2,1H3,(H3,11,12)
InChIKeyYHVOWCGTPVEJFP-UHFFFAOYSA-N
XLogP0.77
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 89378274
Bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide
CID 118641953
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
5-Ethylcyclopenta-1,3-diene-1-carboximidamide
CID 122461125
(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
CID 123320230
Bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide
CID 123990114
8-methyl-9,9a-dihydro-1H-2,4-benzodiazepin-5-amine
CID 162030854
(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide
CID 174352020
(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide
CID 130679260

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide (CID 123670945) is 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=C(CN)CC1C.
What is the InChIKey of 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is YHVOWCGTPVEJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-3,6H,4-5,10H2,1H3,(H3,11,12).
What are the key properties of 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide?
4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 165.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 123670945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).