4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide

C14H20ClN3 — CID 63092670

IUPAC4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCC)CC1CC1
InChIInChI=1S/C14H20ClN3/c1-2-7-18(9-10-3-4-10)13-8-11(15)5-6-12(13)14(16)17/h5-6,8,10H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyLFQMJLKGSDQHEV-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.25
Rot. Bonds6

About 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide

4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide (PubChem CID 63092670) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
PubChem CID63092670
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(CCC)CC1CC1
InChIInChI=1S/C14H20ClN3/c1-2-7-18(9-10-3-4-10)13-8-11(15)5-6-12(13)14(16)17/h5-6,8,10H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyLFQMJLKGSDQHEV-UHFFFAOYSA-N
XLogP3.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.25
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

2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-(dipropylamino)benzenecarboximidamide
CID 28601050
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
4-chloro-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63094375
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 114849135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide (CID 63092670) is 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(CCC)CC1CC1.
What is the InChIKey of 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
The InChIKey is LFQMJLKGSDQHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-7-18(9-10-3-4-10)13-8-11(15)5-6-12(13)14(16)17/h5-6,8,10H,2-4,7,9H2,1H3,(H3,16,17).
What are the key properties of 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide has a molecular weight of 265.79 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63092670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).