3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide

C11H21N3O — CID 77067845

IUPAC3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC1CCC1)C1CC1)=NO
InChIInChI=1S/C11H21N3O/c12-11(13-15)6-7-14(10-4-5-10)8-9-2-1-3-9/h9-10,15H,1-8H2,(H2,12,13)
InChIKeyTZTUAPMWKKJRMZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.39
Rot. Bonds6

About 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide

3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77067845) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
PubChem CID77067845
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC1CCC1)C1CC1)=NO
InChIInChI=1S/C11H21N3O/c12-11(13-15)6-7-14(10-4-5-10)8-9-2-1-3-9/h9-10,15H,1-8H2,(H2,12,13)
InChIKeyTZTUAPMWKKJRMZ-UHFFFAOYSA-N
XLogP1.39
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.39
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

2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
CID 65457588
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide
CID 77046533
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420
4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 102862968
3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
CID 54997431
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
CID 77022682
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070568

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide (CID 77067845) is 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CC1CCC1)C1CC1)=NO.
What is the InChIKey of 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is TZTUAPMWKKJRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11(13-15)6-7-14(10-4-5-10)8-9-2-1-3-9/h9-10,15H,1-8H2,(H2,12,13).
What are the key properties of 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide?
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77067845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).