3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide

C14H18ClN3 — CID 64521360

IUPAC3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C14H18ClN3/c15-12-7-10(14(16)17)3-6-13(12)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2,(H3,16,17)
InChIKeyABPCTSSJEKGSIG-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide

3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide (PubChem CID 64521360) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide
PubChem CID64521360
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C14H18ClN3/c15-12-7-10(14(16)17)3-6-13(12)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2,(H3,16,17)
InChIKeyABPCTSSJEKGSIG-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.00
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-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 63087384
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
5-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]benzenecarbothioamide
CID 64521354
2-chloro-6-[cyclopropyl(cyclopropylmethyl)amino]benzenecarbothioamide
CID 64521753
3-bromo-4-[butyl(cyclopropyl)amino]benzenecarboximidamide
CID 82800265
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
3-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 102863047
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
CID 61448650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide (CID 64521360) is 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC2CC2)C2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide?
The InChIKey is ABPCTSSJEKGSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-12-7-10(14(16)17)3-6-13(12)18(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2,(H3,16,17).
What are the key properties of 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide?
3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide has a molecular weight of 263.77 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 64521360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).