4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 77002613

IUPAC4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CC1CCCC1)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C14H20ClN3O/c1-18(9-10-4-2-3-5-10)13-8-11(15)6-7-12(13)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17)
InChIKeyDSIAWVJJSFXBRL-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.06
Rot. Bonds4

About 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 77002613) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID77002613
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CC1CCCC1)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C14H20ClN3O/c1-18(9-10-4-2-3-5-10)13-8-11(15)6-7-12(13)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17)
InChIKeyDSIAWVJJSFXBRL-UHFFFAOYSA-N
XLogP3.06
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.06
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

5-chloro-2-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944528
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
4-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77046069
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 81296988
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 77002613) is 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(CC1CCCC1)c1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DSIAWVJJSFXBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(9-10-4-2-3-5-10)13-8-11(15)6-7-12(13)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17).
What are the key properties of 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77002613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).