N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide

C10H21N3 — CID 134299489

IUPACN'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide
SMILESCCC/C(N)=N\C=C(/N)C(C)(C)C
InChIInChI=1S/C10H21N3/c1-5-6-9(12)13-7-8(11)10(2,3)4/h7H,5-6,11H2,1-4H3,(H2,12,13)/b8-7-
InChIKeyRWYXXDRWVFNFCC-FPLPWBNLSA-N
MW183.30 g/mol
LogP1.99
Rot. Bonds3

About N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide

N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide (PubChem CID 134299489) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide
PubChem CID134299489
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide
SMILESCCC/C(N)=N\C=C(/N)C(C)(C)C
InChIInChI=1S/C10H21N3/c1-5-6-9(12)13-7-8(11)10(2,3)4/h7H,5-6,11H2,1-4H3,(H2,12,13)/b8-7-
InChIKeyRWYXXDRWVFNFCC-FPLPWBNLSA-N
XLogP1.99
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide?
The IUPAC name of N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide (CID 134299489) is N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide is CCC/C(N)=N\C=C(/N)C(C)(C)C.
What is the InChIKey of N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide?
The InChIKey is RWYXXDRWVFNFCC-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-6-9(12)13-7-8(11)10(2,3)4/h7H,5-6,11H2,1-4H3,(H2,12,13)/b8-7-.
What are the key properties of N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide?
N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-3,3-dimethylbut-1-enyl]butanimidamide is sourced from PubChem (CID 134299489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).