4-decylbenzenecarboximidamide;hydrochloride

C17H29ClN2 — CID 18941670

IUPAC4-decylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C17H28N2.ClH/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19;/h11-14H,2-10H2,1H3,(H3,18,19);1H
InChIKeyIZTVUZRIZDPZJS-UHFFFAOYSA-N
MW296.89 g/mol
LogP5.08
Rot. Bonds10

About 4-decylbenzenecarboximidamide;hydrochloride

4-decylbenzenecarboximidamide;hydrochloride (PubChem CID 18941670) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-decylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-decylbenzenecarboximidamide;hydrochloride
PubChem CID18941670
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-decylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C17H28N2.ClH/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19;/h11-14H,2-10H2,1H3,(H3,18,19);1H
InChIKeyIZTVUZRIZDPZJS-UHFFFAOYSA-N
XLogP5.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.89
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-decylbenzenecarboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
4-octylbenzamide;hydrochloride
CID 131740255
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-octoxybenzenecarboximidamide
CID 3302492
(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride
CID 118255375
4-hexylsulfanylbenzenecarboximidamide
CID 54310899
N-(1-amino-1-iminopropan-2-yl)-4-octylbenzamide;hydrochloride
CID 75170820
N-(2-amino-2-iminoethyl)-4-octylbenzamide
CID 44544128
4-[[3-butyl-5-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide;methane
CID 160987111
4-hexanoylbenzenecarboximidamide
CID 57228852

Frequently Asked Questions

What is the IUPAC name of 4-decylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-decylbenzenecarboximidamide;hydrochloride (CID 18941670) is 4-decylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-decylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-decylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(CCCCCCCCCC)cc1.
What is the InChIKey of 4-decylbenzenecarboximidamide;hydrochloride?
The InChIKey is IZTVUZRIZDPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19;/h11-14H,2-10H2,1H3,(H3,18,19);1H.
What are the key properties of 4-decylbenzenecarboximidamide;hydrochloride?
4-decylbenzenecarboximidamide;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 5.08, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 18941670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).