3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide

C14H27N3 — CID 64737100

IUPAC3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)C1CC(C)CC(C)C1
InChIInChI=1S/C14H27N3/c1-10-7-11(2)9-13(8-10)17(12-3-4-12)6-5-14(15)16/h10-13H,3-9H2,1-2H3,(H3,15,16)
InChIKeyYHDGWORKEDXNKF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.60
Rot. Bonds5

About 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide

3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide (PubChem CID 64737100) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide
PubChem CID64737100
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)C1CC(C)CC(C)C1
InChIInChI=1S/C14H27N3/c1-10-7-11(2)9-13(8-10)17(12-3-4-12)6-5-14(15)16/h10-13H,3-9H2,1-2H3,(H3,15,16)
InChIKeyYHDGWORKEDXNKF-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
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

3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210
3-[cyclopropyl(2-methoxyethyl)amino]propanimidamide
CID 61451724
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
CID 64750263
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 65209210
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
CID 65457588
3-cyclopentylpropanimidamide
CID 83681795
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
3-(2-methylcyclohexyl)oxypropanimidamide
CID 24704850

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide (CID 64737100) is 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide is [H]/N=C(\N)CCN(C1CC1)C1CC(C)CC(C)C1.
What is the InChIKey of 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide?
The InChIKey is YHDGWORKEDXNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-10-7-11(2)9-13(8-10)17(12-3-4-12)6-5-14(15)16/h10-13H,3-9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide?
3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide has a molecular weight of 237.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide is sourced from PubChem (CID 64737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).