4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide

C15H23N3 — CID 61441796

IUPAC4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CCC)CC2CC2)cc1
InChIInChI=1S/C15H23N3/c1-2-9-18(10-12-3-4-12)11-13-5-7-14(8-6-13)15(16)17/h5-8,12H,2-4,9-11H2,1H3,(H3,16,17)
InChIKeyYGZPHZNPDZFBKW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.59
Rot. Bonds7

About 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide

4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide (PubChem CID 61441796) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
PubChem CID61441796
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CCC)CC2CC2)cc1
InChIInChI=1S/C15H23N3/c1-2-9-18(10-12-3-4-12)11-13-5-7-14(8-6-13)15(16)17/h5-8,12H,2-4,9-11H2,1H3,(H3,16,17)
InChIKeyYGZPHZNPDZFBKW-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide (CID 61441796) is 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CCC)CC2CC2)cc1.
What is the InChIKey of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide?
The InChIKey is YGZPHZNPDZFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-9-18(10-12-3-4-12)11-13-5-7-14(8-6-13)15(16)17/h5-8,12H,2-4,9-11H2,1H3,(H3,16,17).
What are the key properties of 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide?
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 61441796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).