3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide

C13H20ClN3 — CID 61417055

IUPAC3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClN3/c1-3-11(8-13(15)16)17(2)9-10-6-4-5-7-12(10)14/h4-7,11H,3,8-9H2,1-2H3,(H3,15,16)
InChIKeyOITSOIOTJKWYIB-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.88
Rot. Bonds6

About 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide

3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide (PubChem CID 61417055) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide
PubChem CID61417055
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClN3/c1-3-11(8-13(15)16)17(2)9-10-6-4-5-7-12(10)14/h4-7,11H,3,8-9H2,1-2H3,(H3,15,16)
InChIKeyOITSOIOTJKWYIB-UHFFFAOYSA-N
XLogP2.88
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 104792308
3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
3-[(2-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779797
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
3-[(3-chloro-2-pyridinyl)-methylamino]butanimidamide
CID 63224568
3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
CID 63982121
3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 114949780
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide
CID 63177846

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide (CID 61417055) is 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide?
The InChIKey is OITSOIOTJKWYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-11(8-13(15)16)17(2)9-10-6-4-5-7-12(10)14/h4-7,11H,3,8-9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide?
3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide has a molecular weight of 253.78 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide is sourced from PubChem (CID 61417055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).