(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide

C10H21N3 — CID 90944521

IUPAC(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide
SMILESC/C=C(CC)\C(N)=N\C(C)C(C)N
InChIInChI=1S/C10H21N3/c1-5-9(6-2)10(12)13-8(4)7(3)11/h5,7-8H,6,11H2,1-4H3,(H2,12,13)/b9-5-
InChIKeyIGWKNOFMEWGOMI-UITAMQMPSA-N
MW183.30 g/mol
LogP1.44
Rot. Bonds4

About (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide

(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide (PubChem CID 90944521) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide
PubChem CID90944521
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide
SMILESC/C=C(CC)\C(N)=N\C(C)C(C)N
InChIInChI=1S/C10H21N3/c1-5-9(6-2)10(12)13-8(4)7(3)11/h5,7-8H,6,11H2,1-4H3,(H2,12,13)/b9-5-
InChIKeyIGWKNOFMEWGOMI-UITAMQMPSA-N
XLogP1.44
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.44
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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Related Compounds

N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide
CID 59072782
(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide
CID 90778157
5-Methyl-2,3-dihydropyridine-3,6-diamine
CID 91145889
(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide
CID 118973170
2-methylidene-N'-propan-2-ylbutanimidamide
CID 123621247
(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
CID 139310002
(Z)-N',2-diethylbut-2-enimidamide
CID 145650466
3-ethyl-N'-propan-2-ylpent-2-enimidamide
CID 157702646
(E)-N'-(1-aminoethyl)-3-methylpent-3-enimidamide
CID 164019605
N',6-dimethyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075917
(E)-1-N'-tert-butyl-4-N'-(1-cyanoethyl)-2-ethylbut-2-enediimidamide
CID 170188302
5-(1-Aminoethyl)-2,3-dihydropyridin-6-amine
CID 177180063

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide?
The IUPAC name of (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide (CID 90944521) is (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide.
What is the SMILES notation for (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide?
The canonical SMILES for (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide is C/C=C(CC)\C(N)=N\C(C)C(C)N.
What is the InChIKey of (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide?
The InChIKey is IGWKNOFMEWGOMI-UITAMQMPSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-9(6-2)10(12)13-8(4)7(3)11/h5,7-8H,6,11H2,1-4H3,(H2,12,13)/b9-5-.
What are the key properties of (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide?
(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide is sourced from PubChem (CID 90944521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).