N',2-dimethyl-N-propylbut-3-enimidamide

C9H18N2 — CID 142083234

IUPACN',2-dimethyl-N-propylbut-3-enimidamide
SMILESC=CC(C)/C(=N\C)NCCC
InChIInChI=1S/C9H18N2/c1-5-7-11-9(10-4)8(3)6-2/h6,8H,2,5,7H2,1,3-4H3,(H,10,11)
InChIKeyBDORWKLOXBNMKY-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.84
Rot. Bonds4

About N',2-dimethyl-N-propylbut-3-enimidamide

N',2-dimethyl-N-propylbut-3-enimidamide (PubChem CID 142083234) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N',2-dimethyl-N-propylbut-3-enimidamide.

Molecular Properties

Compound NameN',2-dimethyl-N-propylbut-3-enimidamide
PubChem CID142083234
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN',2-dimethyl-N-propylbut-3-enimidamide
SMILESC=CC(C)/C(=N\C)NCCC
InChIInChI=1S/C9H18N2/c1-5-7-11-9(10-4)8(3)6-2/h6,8H,2,5,7H2,1,3-4H3,(H,10,11)
InChIKeyBDORWKLOXBNMKY-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-propylbut-3-enimidamide?
The IUPAC name of N',2-dimethyl-N-propylbut-3-enimidamide (CID 142083234) is N',2-dimethyl-N-propylbut-3-enimidamide.
What is the SMILES notation for N',2-dimethyl-N-propylbut-3-enimidamide?
The canonical SMILES for N',2-dimethyl-N-propylbut-3-enimidamide is C=CC(C)/C(=N\C)NCCC.
What is the InChIKey of N',2-dimethyl-N-propylbut-3-enimidamide?
The InChIKey is BDORWKLOXBNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-11-9(10-4)8(3)6-2/h6,8H,2,5,7H2,1,3-4H3,(H,10,11).
What are the key properties of N',2-dimethyl-N-propylbut-3-enimidamide?
N',2-dimethyl-N-propylbut-3-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-propylbut-3-enimidamide is sourced from PubChem (CID 142083234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).