N'-(4-aminobutyl)benzenecarboximidamide

C11H17N3 — CID 172789846

IUPACN'-(4-aminobutyl)benzenecarboximidamide
SMILESNCCCC/N=C(\N)c1ccccc1
InChIInChI=1S/C11H17N3/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2,(H2,13,14)
InChIKeyPKGNDUUAULIESW-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.13
Rot. Bonds5

About N'-(4-aminobutyl)benzenecarboximidamide

N'-(4-aminobutyl)benzenecarboximidamide (PubChem CID 172789846) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-(4-aminobutyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-aminobutyl)benzenecarboximidamide
PubChem CID172789846
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-(4-aminobutyl)benzenecarboximidamide
SMILESNCCCC/N=C(\N)c1ccccc1
InChIInChI=1S/C11H17N3/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2,(H2,13,14)
InChIKeyPKGNDUUAULIESW-UHFFFAOYSA-N
XLogP1.13
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-[2-(methylamino)ethyl]benzenecarboximidamide
CID 89222579
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381
2-(4-aminobutyl)guanidine
CID 22560045
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
N'-[5-[2,4,6-trioxo-3,5-bis[5-(phenyliminomethylideneamino)pentyl]-1,3,5-triazinan-1-yl]pentyl]benzenecarboximidamide
CID 21059198
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
2-(3-aminopropyl)-1-[(Z)-(2,2-difluoro-1-phenylethylidene)amino]guanidine
CID 5487318

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobutyl)benzenecarboximidamide?
The IUPAC name of N'-(4-aminobutyl)benzenecarboximidamide (CID 172789846) is N'-(4-aminobutyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-aminobutyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-aminobutyl)benzenecarboximidamide is NCCCC/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(4-aminobutyl)benzenecarboximidamide?
The InChIKey is PKGNDUUAULIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2,(H2,13,14).
What are the key properties of N'-(4-aminobutyl)benzenecarboximidamide?
N'-(4-aminobutyl)benzenecarboximidamide has a molecular weight of 191.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobutyl)benzenecarboximidamide is sourced from PubChem (CID 172789846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).