2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

C16H23N3O — CID 77022737

IUPAC2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(CC2CC2)CC2CC2)c1
InChIInChI=1S/C16H23N3O/c1-11-2-7-14(16(17)18-20)15(8-11)19(9-12-3-4-12)10-13-5-6-13/h2,7-8,12-13,20H,3-6,9-10H2,1H3,(H2,17,18)
InChIKeyHDYWUUOQPBZERT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds6

About 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 77022737) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID77022737
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(CC2CC2)CC2CC2)c1
InChIInChI=1S/C16H23N3O/c1-11-2-7-14(16(17)18-20)15(8-11)19(9-12-3-4-12)10-13-5-6-13/h2,7-8,12-13,20H,3-6,9-10H2,1H3,(H2,17,18)
InChIKeyHDYWUUOQPBZERT-UHFFFAOYSA-N
XLogP2.72
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
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-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302704
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999576
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 77022737) is 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(N(CC2CC2)CC2CC2)c1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is HDYWUUOQPBZERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-2-7-14(16(17)18-20)15(8-11)19(9-12-3-4-12)10-13-5-6-13/h2,7-8,12-13,20H,3-6,9-10H2,1H3,(H2,17,18).
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 273.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 77022737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).