5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide

C14H20ClN3O — CID 114949729

IUPAC5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C14H20ClN3O/c1-18(9-14(19)6-2-3-7-14)12-5-4-10(15)8-11(12)13(16)17/h4-5,8,19H,2-3,6-7,9H2,1H3,(H3,16,17)
InChIKeyNUMUAUQCTPEFNP-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.37
Rot. Bonds4

About 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide

5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 114949729) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
PubChem CID114949729
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C14H20ClN3O/c1-18(9-14(19)6-2-3-7-14)12-5-4-10(15)8-11(12)13(16)17/h4-5,8,19H,2-3,6-7,9H2,1H3,(H3,16,17)
InChIKeyNUMUAUQCTPEFNP-UHFFFAOYSA-N
XLogP2.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
CID 115868668
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
CID 79850182
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide (CID 114949729) is 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)CC1(O)CCCC1.
What is the InChIKey of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is NUMUAUQCTPEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(9-14(19)6-2-3-7-14)12-5-4-10(15)8-11(12)13(16)17/h4-5,8,19H,2-3,6-7,9H2,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide?
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 114949729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).