2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide

C15H23N3O2 — CID 81302704

IUPAC2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCCN(CC1CC1)c1cc(OC)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O2/c1-3-8-18(10-11-4-5-11)14-9-12(20-2)6-7-13(14)15(16)17-19/h6-7,9,11,19H,3-5,8,10H2,1-2H3,(H2,16,17)
InChIKeyNOOUVVQOBOSGSF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.42
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide

2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 81302704) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID81302704
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCCN(CC1CC1)c1cc(OC)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O2/c1-3-8-18(10-11-4-5-11)14-9-12(20-2)6-7-13(14)15(16)17-19/h6-7,9,11,19H,3-5,8,10H2,1-2H3,(H2,16,17)
InChIKeyNOOUVVQOBOSGSF-UHFFFAOYSA-N
XLogP2.42
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916100
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 81296988
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302918
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
CID 81298153

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 81302704) is 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide is CCCN(CC1CC1)c1cc(OC)ccc1/C(N)=N/O.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is NOOUVVQOBOSGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-8-18(10-11-4-5-11)14-9-12(20-2)6-7-13(14)15(16)17-19/h6-7,9,11,19H,3-5,8,10H2,1-2H3,(H2,16,17).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).