3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide

C12H25N3O — CID 76910420

IUPAC3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCCCC1
InChIInChI=1S/C12H25N3O/c1-2-15(9-8-12(13)14-16)10-11-6-4-3-5-7-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyKXOFRKSCKNKWPR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.03
Rot. Bonds6

About 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide

3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76910420) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76910420
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCCCC1
InChIInChI=1S/C12H25N3O/c1-2-15(9-8-12(13)14-16)10-11-6-4-3-5-7-11/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyKXOFRKSCKNKWPR-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
CID 77022682
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
3-[ethyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 76910513
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide (CID 76910420) is 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is KXOFRKSCKNKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-15(9-8-12(13)14-16)10-11-6-4-3-5-7-11/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).