N'-amino-3-butylbenzenecarboximidamide

C11H17N3 — CID 54572908

IUPACN'-amino-3-butylbenzenecarboximidamide
SMILESCCCCc1cccc(C(N)=NN)c1
InChIInChI=1S/C11H17N3/c1-2-3-5-9-6-4-7-10(8-9)11(12)14-13/h4,6-8H,2-3,5,13H2,1H3,(H2,12,14)
InChIKeyZYOPWKHTMHSCEB-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.61
Rot. Bonds4

About N'-amino-3-butylbenzenecarboximidamide

N'-amino-3-butylbenzenecarboximidamide (PubChem CID 54572908) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-amino-3-butylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-butylbenzenecarboximidamide
PubChem CID54572908
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-amino-3-butylbenzenecarboximidamide
SMILESCCCCc1cccc(C(N)=NN)c1
InChIInChI=1S/C11H17N3/c1-2-3-5-9-6-4-7-10(8-9)11(12)14-13/h4,6-8H,2-3,5,13H2,1H3,(H2,12,14)
InChIKeyZYOPWKHTMHSCEB-UHFFFAOYSA-N
XLogP1.61
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

lithium 3-butylbenzoate
CID 101299949
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
(3-butylbenzoyl) 3-butylbenzoate
CID 139993178
1-(3-butylphenyl)-3-(3,5-dibutylphenyl)propane-1,3-dione
CID 130220574
N'-amino-3-bromobenzenecarboximidamide
CID 83534045
3-octylbenzoate
CID 140615261
sodium 3-pentylbenzoate
CID 169082106
ethyl acetate;ethyl 3-butylbenzoate
CID 158218929
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
2-hydroxyimino-2-(3-pentadecylphenyl)ethanol
CID 173221789
2-(3-heptylphenyl)-2-hydroxyiminoethanol
CID 173361947

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-butylbenzenecarboximidamide?
The IUPAC name of N'-amino-3-butylbenzenecarboximidamide (CID 54572908) is N'-amino-3-butylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-3-butylbenzenecarboximidamide?
The canonical SMILES for N'-amino-3-butylbenzenecarboximidamide is CCCCc1cccc(C(N)=NN)c1.
What is the InChIKey of N'-amino-3-butylbenzenecarboximidamide?
The InChIKey is ZYOPWKHTMHSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-5-9-6-4-7-10(8-9)11(12)14-13/h4,6-8H,2-3,5,13H2,1H3,(H2,12,14).
What are the key properties of N'-amino-3-butylbenzenecarboximidamide?
N'-amino-3-butylbenzenecarboximidamide has a molecular weight of 191.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-butylbenzenecarboximidamide is sourced from PubChem (CID 54572908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).