2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide

C14H21N3O — CID 54999576

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCC(C)N(CC1CC1)c1ccccc1/C(N)=N/O
InChIInChI=1S/C14H21N3O/c1-10(2)17(9-11-7-8-11)13-6-4-3-5-12(13)14(15)16-18/h3-6,10-11,18H,7-9H2,1-2H3,(H2,15,16)
InChIKeyWVINHIYZMHVHFQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds5

About 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide

2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 54999576) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID54999576
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCC(C)N(CC1CC1)c1ccccc1/C(N)=N/O
InChIInChI=1S/C14H21N3O/c1-10(2)17(9-11-7-8-11)13-6-4-3-5-12(13)14(15)16-18/h3-6,10-11,18H,7-9H2,1-2H3,(H2,15,16)
InChIKeyWVINHIYZMHVHFQ-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
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-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004521
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951613
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065908
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide (CID 54999576) is 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide is CC(C)N(CC1CC1)c1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WVINHIYZMHVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17(9-11-7-8-11)13-6-4-3-5-12(13)14(15)16-18/h3-6,10-11,18H,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54999576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).