3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide

C12H25N3 — CID 64750264

IUPAC3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)C1CCC(C)CC1
InChIInChI=1S/C12H25N3/c1-3-15(9-8-12(13)14)11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyLXSUYQLNOQNOGM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.21
Rot. Bonds5

About 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide

3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide (PubChem CID 64750264) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
PubChem CID64750264
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)C1CCC(C)CC1
InChIInChI=1S/C12H25N3/c1-3-15(9-8-12(13)14)11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyLXSUYQLNOQNOGM-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.21
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-ethylcyclohexyl)amino]propanimidamide
CID 64750263
3-[cyclopropyl(2-methoxyethyl)amino]propanimidamide
CID 61451724
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
CID 65457588
3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide
CID 64737100
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
CID 64989198

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide?
The IUPAC name of 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide (CID 64750264) is 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)C1CCC(C)CC1.
What is the InChIKey of 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide?
The InChIKey is LXSUYQLNOQNOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-15(9-8-12(13)14)11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide?
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide is sourced from PubChem (CID 64750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).