N'-(3-phenylpropyl)propanimidamide

C12H18N2 — CID 62049417

IUPACN'-(3-phenylpropyl)propanimidamide
SMILESCC/C(N)=N\CCCc1ccccc1
InChIInChI=1S/C12H18N2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,13,14)
InChIKeyRNHRDBOVUZJXIH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.39
Rot. Bonds5

About N'-(3-phenylpropyl)propanimidamide

N'-(3-phenylpropyl)propanimidamide (PubChem CID 62049417) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(3-phenylpropyl)propanimidamide.

Molecular Properties

Compound NameN'-(3-phenylpropyl)propanimidamide
PubChem CID62049417
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(3-phenylpropyl)propanimidamide
SMILESCC/C(N)=N\CCCc1ccccc1
InChIInChI=1S/C12H18N2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,13,14)
InChIKeyRNHRDBOVUZJXIH-UHFFFAOYSA-N
XLogP2.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
N'-benzylpropanimidamide
CID 45122449
N'-(3-phenoxypropyl)propanimidamide
CID 63175356
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
benzyl 3-(1-aminopropylideneamino)propanoate
CID 166816897
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
butylbenzene;hydroxylamine
CID 175142403
N'-(3-phenylpropyl)cyclohexanecarboximidamide
CID 63175493
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
N'-pentylpropanimidamide
CID 62047571
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylpropyl)propanimidamide?
The IUPAC name of N'-(3-phenylpropyl)propanimidamide (CID 62049417) is N'-(3-phenylpropyl)propanimidamide.
What is the SMILES notation for N'-(3-phenylpropyl)propanimidamide?
The canonical SMILES for N'-(3-phenylpropyl)propanimidamide is CC/C(N)=N\CCCc1ccccc1.
What is the InChIKey of N'-(3-phenylpropyl)propanimidamide?
The InChIKey is RNHRDBOVUZJXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,13,14).
What are the key properties of N'-(3-phenylpropyl)propanimidamide?
N'-(3-phenylpropyl)propanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylpropyl)propanimidamide is sourced from PubChem (CID 62049417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).