(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide

C9H14N2 — CID 130178588

IUPAC(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=C(C)[C@H](C)CC=C1
InChIInChI=1S/C9H14N2/c1-6-4-3-5-8(7(6)2)9(10)11/h3,5-6H,4H2,1-2H3,(H3,10,11)/t6-/m1/s1
InChIKeyBFJPFUYPCFDWBC-ZCFIWIBFSA-N
MW150.22 g/mol
LogP1.83
Rot. Bonds1

About (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide

(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 130178588) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Name(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID130178588
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=C(C)[C@H](C)CC=C1
InChIInChI=1S/C9H14N2/c1-6-4-3-5-8(7(6)2)9(10)11/h3,5-6H,4H2,1-2H3,(H3,10,11)/t6-/m1/s1
InChIKeyBFJPFUYPCFDWBC-ZCFIWIBFSA-N
XLogP1.83
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

CID 17881718
CID 17881718
CID 17905983
CID 17905983
CID 89378274
CID 89378274
CID 91258250
CID 91258250
CID 117660284
CID 117660284
CID 118642057
CID 118642057
CID 121291508
CID 121291508
CID 122461125
CID 122461125
CID 123583019
CID 123583019
CID 130178565
CID 130178565
CID 137436644
CID 137436644
CID 141935343
CID 141935343

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide (CID 130178588) is (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide is [H]/N=C(\N)C1=C(C)[C@H](C)CC=C1.
What is the InChIKey of (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is BFJPFUYPCFDWBC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-4-3-5-8(7(6)2)9(10)11/h3,5-6H,4H2,1-2H3,(H3,10,11)/t6-/m1/s1.
What are the key properties of (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide?
(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 150.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 130178588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).