N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide

C8H16N2 — CID 135276889

IUPACN-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)/C(C)=C\C
InChIInChI=1S/C8H16N2/c1-5-7(3)10(4)8(9)6-2/h5,9H,6H2,1-4H3/b7-5-,9-8+
InChIKeyRPGIKXOOQGWWJL-SUHGFZJFSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide

N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide (PubChem CID 135276889) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide
PubChem CID135276889
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)/C(C)=C\C
InChIInChI=1S/C8H16N2/c1-5-7(3)10(4)8(9)6-2/h5,9H,6H2,1-4H3/b7-5-,9-8+
InChIKeyRPGIKXOOQGWWJL-SUHGFZJFSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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'}

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Related Compounds

N-amino-N-methylpropanimidamide
CID 123454598
N-methyl-N-propylpropanimidamide
CID 63176074
N-(2,2-dimethylpropyl)-N-methylpropanimidamide
CID 63177754
N-methyl-N-prop-2-ynylpropanimidamide
CID 143160706
N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
CID 63177323
N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide
CID 146735988
N-ethenyl-N-propan-2-ylpropanimidamide
CID 146638834
N-ethyl-N-(methyliminomethyl)propanimidamide
CID 131979243
ethynyl N-methyl-N-propanimidoyl-N'-propan-2-ylcarbamimidothioate
CID 90852685
ethane;(E)-3-methylpent-2-ene
CID 144523626
N-but-2-en-2-yl-N-methylacetamide
CID 123872311
N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide (CID 135276889) is N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide is [H]/N=C(\CC)N(C)/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide?
The InChIKey is RPGIKXOOQGWWJL-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7(3)10(4)8(9)6-2/h5,9H,6H2,1-4H3/b7-5-,9-8+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide?
N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide is sourced from PubChem (CID 135276889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).