N-butyl-N-[(Z)-prop-1-enyl]methanimidamide

C8H16N2 — CID 121384623

IUPACN-butyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)CCCC
InChIInChI=1S/C8H16N2/c1-3-5-7-10(8-9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-,9-8+
InChIKeyYKXPGJAURYFDQR-LJWGDIBWSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds5

About N-butyl-N-[(Z)-prop-1-enyl]methanimidamide

N-butyl-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 121384623) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-butyl-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-butyl-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID121384623
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-butyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)CCCC
InChIInChI=1S/C8H16N2/c1-3-5-7-10(8-9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-,9-8+
InChIKeyYKXPGJAURYFDQR-LJWGDIBWSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 90443484
N-[(Z)-prop-1-enyl]-N-propylmethanimidamide
CID 117805299
N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
CID 122536879
N-methyl-N-prop-1-enylmethanimidamide
CID 123388382
N-methyl-N'-prop-1-enyl-N-propylmethanimidamide
CID 123631518
N-propan-2-yl-N-[(Z)-prop-1-enyl]methanimidamide
CID 130253306
N-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 135303217
ethene;N-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 141770328
N-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 141770329
ethane;N-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 142029301
N-butyl-N-ethenylmethanimidamide;ethane
CID 142939618
N-methyl-N-[(E)-prop-1-enyl]methanimidamide
CID 143028866

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-butyl-N-[(Z)-prop-1-enyl]methanimidamide (CID 121384623) is N-butyl-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-butyl-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-butyl-N-[(Z)-prop-1-enyl]methanimidamide is [H]/N=C/N(/C=C\C)CCCC.
What is the InChIKey of N-butyl-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is YKXPGJAURYFDQR-LJWGDIBWSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-7-10(8-9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-,9-8+.
What are the key properties of N-butyl-N-[(Z)-prop-1-enyl]methanimidamide?
N-butyl-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 121384623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).