N-methyl-N-[(Z)-prop-1-enyl]butanimidamide

C8H16N2 — CID 163368707

IUPACN-methyl-N-[(Z)-prop-1-enyl]butanimidamide
SMILES[H]/N=C(\CCC)N(C)/C=C\C
InChIInChI=1S/C8H16N2/c1-4-6-8(9)10(3)7-5-2/h5,7,9H,4,6H2,1-3H3/b7-5-,9-8+
InChIKeyWRABLKACMHUSIF-SUHGFZJFSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-N-[(Z)-prop-1-enyl]butanimidamide

N-methyl-N-[(Z)-prop-1-enyl]butanimidamide (PubChem CID 163368707) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N-[(Z)-prop-1-enyl]butanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-prop-1-enyl]butanimidamide
PubChem CID163368707
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N-[(Z)-prop-1-enyl]butanimidamide
SMILES[H]/N=C(\CCC)N(C)/C=C\C
InChIInChI=1S/C8H16N2/c1-4-6-8(9)10(3)7-5-2/h5,7,9H,4,6H2,1-3H3/b7-5-,9-8+
InChIKeyWRABLKACMHUSIF-SUHGFZJFSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 89893482
N-ethenyl-N-propylpropanimidamide
CID 90299150
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
1-methyl-3H-pyrrol-2-imine
CID 100937012
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 118674850
N-butyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 121384623
N-methyl-N-prop-1-enylethanimidamide
CID 123961702
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]prop-2-enimidamide
CID 132198310
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 142470851
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 142516296
ethane;N-ethenyl-N-methylpropanimidamide;propane
CID 142516349
N-ethenyl-N-methylpropanimidamide
CID 142516350

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-prop-1-enyl]butanimidamide?
The IUPAC name of N-methyl-N-[(Z)-prop-1-enyl]butanimidamide (CID 163368707) is N-methyl-N-[(Z)-prop-1-enyl]butanimidamide.
What is the SMILES notation for N-methyl-N-[(Z)-prop-1-enyl]butanimidamide?
The canonical SMILES for N-methyl-N-[(Z)-prop-1-enyl]butanimidamide is [H]/N=C(\CCC)N(C)/C=C\C.
What is the InChIKey of N-methyl-N-[(Z)-prop-1-enyl]butanimidamide?
The InChIKey is WRABLKACMHUSIF-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6-8(9)10(3)7-5-2/h5,7,9H,4,6H2,1-3H3/b7-5-,9-8+.
What are the key properties of N-methyl-N-[(Z)-prop-1-enyl]butanimidamide?
N-methyl-N-[(Z)-prop-1-enyl]butanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-prop-1-enyl]butanimidamide is sourced from PubChem (CID 163368707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).