2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide

C14H20ClN3 — CID 62496653

IUPAC2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CCCC)C1CC1
InChIInChI=1S/C14H20ClN3/c1-2-3-9-18(10-7-8-10)12-6-4-5-11(15)13(12)14(16)17/h4-6,10H,2-3,7-9H2,1H3,(H3,16,17)
InChIKeyBEXZCFJSISVHKZ-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.39
Rot. Bonds6

About 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide

2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide (PubChem CID 62496653) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
PubChem CID62496653
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CCCC)C1CC1
InChIInChI=1S/C14H20ClN3/c1-2-3-9-18(10-7-8-10)12-6-4-5-11(15)13(12)14(16)17/h4-6,10H,2-3,7-9H2,1H3,(H3,16,17)
InChIKeyBEXZCFJSISVHKZ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-chloro-6-[cyclopropyl(propyl)amino]benzenecarbothioamide
CID 62502761
2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55079645
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
3-bromo-4-[butyl(cyclopropyl)amino]benzenecarboximidamide
CID 82800265
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
CID 61440812
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide (CID 62496653) is 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(CCCC)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide?
The InChIKey is BEXZCFJSISVHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-3-9-18(10-7-8-10)12-6-4-5-11(15)13(12)14(16)17/h4-6,10H,2-3,7-9H2,1H3,(H3,16,17).
What are the key properties of 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide?
2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide has a molecular weight of 265.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide is sourced from PubChem (CID 62496653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).