4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide

C12H23N3O — CID 77022682

IUPAC4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CC1CC1)CC1CC1)=NO
InChIInChI=1S/C12H23N3O/c13-12(14-16)2-1-7-15(8-10-3-4-10)9-11-5-6-11/h10-11,16H,1-9H2,(H2,13,14)
InChIKeyDSGJDDPRJNABCM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.63
Rot. Bonds8

About 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide

4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 77022682) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
PubChem CID77022682
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CC1CC1)CC1CC1)=NO
InChIInChI=1S/C12H23N3O/c13-12(14-16)2-1-7-15(8-10-3-4-10)9-11-5-6-11/h10-11,16H,1-9H2,(H2,13,14)
InChIKeyDSGJDDPRJNABCM-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.63
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'}

Analyze 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 102862968
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
6-[bis(cyclopropylmethyl)amino]hexan-3-one
CID 106801480
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 43569199
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518
5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404

Frequently Asked Questions

What is the IUPAC name of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide (CID 77022682) is 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide is NC(CCCN(CC1CC1)CC1CC1)=NO.
What is the InChIKey of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is DSGJDDPRJNABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(14-16)2-1-7-15(8-10-3-4-10)9-11-5-6-11/h10-11,16H,1-9H2,(H2,13,14).
What are the key properties of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide?
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77022682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).