(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide

C10H16N2 — CID 130679260

IUPAC(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC[C@@H](C(=C)C)CC1
InChIInChI=1S/C10H16N2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H3,11,12)/t8-/m1/s1
InChIKeyZXABIHPCEGOIII-MRVPVSSYSA-N
MW164.25 g/mol
LogP2.22
Rot. Bonds2

About (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide

(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide (PubChem CID 130679260) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide.

Molecular Properties

Compound Name(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide
PubChem CID130679260
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC[C@@H](C(=C)C)CC1
InChIInChI=1S/C10H16N2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H3,11,12)/t8-/m1/s1
InChIKeyZXABIHPCEGOIII-MRVPVSSYSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
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 ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-amino-2-(4-methylcyclohex-3-en-1-yl)ethanimidamide
CID 68070528
Cyclohexene-1-carboximidamide
CID 68077891
(5R)-5-methylcyclopentene-1-carboximidamide
CID 68242353
2-Cyclohexylprop-2-enimidamide
CID 70500231
Tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide
CID 87317193
(Z)-2-propan-2-ylhex-2-enimidamide
CID 88782432
(2E)-2-[(2Z)-4-methylpenta-2,4-dienylidene]cyclohexane-1-carboximidamide
CID 89585167
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
CID 123320230
4-(Aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
CID 123670945
(E)-2-propylpent-2-enimidamide
CID 123835678
4-Methyl-2-methylidenehexanimidamide
CID 137386434

Frequently Asked Questions

What is the IUPAC name of (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide?
The IUPAC name of (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide (CID 130679260) is (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide.
What is the SMILES notation for (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide?
The canonical SMILES for (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide is [H]/N=C(\N)C1=CC[C@@H](C(=C)C)CC1.
What is the InChIKey of (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide?
The InChIKey is ZXABIHPCEGOIII-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H3,11,12)/t8-/m1/s1.
What are the key properties of (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide?
(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide has a molecular weight of 164.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide is sourced from PubChem (CID 130679260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).