N-butan-2-yl-N'-methylbut-3-enimidamide

C9H18N2 — CID 155129645

IUPACN-butan-2-yl-N'-methylbut-3-enimidamide
SMILESC=CC/C(=N\C)NC(C)CC
InChIInChI=1S/C9H18N2/c1-5-7-9(10-4)11-8(3)6-2/h5,8H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyXZDKEXPBYWHAAL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.98
Rot. Bonds4

About N-butan-2-yl-N'-methylbut-3-enimidamide

N-butan-2-yl-N'-methylbut-3-enimidamide (PubChem CID 155129645) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-butan-2-yl-N'-methylbut-3-enimidamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-methylbut-3-enimidamide
PubChem CID155129645
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-butan-2-yl-N'-methylbut-3-enimidamide
SMILESC=CC/C(=N\C)NC(C)CC
InChIInChI=1S/C9H18N2/c1-5-7-9(10-4)11-8(3)6-2/h5,8H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyXZDKEXPBYWHAAL-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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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Related Compounds

N-butan-2-yl-4-methyliminopent-2-en-2-amine
CID 152732713
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
1,3-di(butan-2-yl)thiourea
CID 5366322
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
1-butan-2-yl-2-methyl-3-prop-2-ynylguanidine
CID 130667378
N-butan-2-yl-3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propanamide
CID 109496205
1-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
sodium;N-butan-2-ylprop-2-enamide;hydrogen sulfate
CID 23683370
[amino-(butan-2-ylamino)methylidene]-methylideneazanium
CID 163802497
2-N-butan-2-yl-4-methylpent-1-ene-2,3-diamine
CID 144707710
N-butan-2-yl-3-[[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]methyl]benzamide
CID 110980433
N-butan-2-ylcarbamoyl iodide
CID 118554163

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-methylbut-3-enimidamide?
The IUPAC name of N-butan-2-yl-N'-methylbut-3-enimidamide (CID 155129645) is N-butan-2-yl-N'-methylbut-3-enimidamide.
What is the SMILES notation for N-butan-2-yl-N'-methylbut-3-enimidamide?
The canonical SMILES for N-butan-2-yl-N'-methylbut-3-enimidamide is C=CC/C(=N\C)NC(C)CC.
What is the InChIKey of N-butan-2-yl-N'-methylbut-3-enimidamide?
The InChIKey is XZDKEXPBYWHAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-9(10-4)11-8(3)6-2/h5,8H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of N-butan-2-yl-N'-methylbut-3-enimidamide?
N-butan-2-yl-N'-methylbut-3-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methylbut-3-enimidamide is sourced from PubChem (CID 155129645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).