(Z)-but-2-ene;N-methylethanamine

C7H17N — CID 171622053

IUPAC(Z)-but-2-ene;N-methylethanamine
SMILESC/C=C\C.CCNC
InChIInChI=1S/C4H8.C3H9N/c2*1-3-4-2/h3-4H,1-2H3;4H,3H2,1-2H3/b4-3-;
InChIKeyKIWBOKJZBHAWDD-LNKPDPKZSA-N
MW115.22 g/mol
LogP1.81
Rot. Bonds1

About (Z)-but-2-ene;N-methylethanamine

(Z)-but-2-ene;N-methylethanamine (PubChem CID 171622053) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is (Z)-but-2-ene;N-methylethanamine.

Molecular Properties

Compound Name(Z)-but-2-ene;N-methylethanamine
PubChem CID171622053
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name(Z)-but-2-ene;N-methylethanamine
SMILESC/C=C\C.CCNC
InChIInChI=1S/C4H8.C3H9N/c2*1-3-4-2/h3-4H,1-2H3;4H,3H2,1-2H3/b4-3-;
InChIKeyKIWBOKJZBHAWDD-LNKPDPKZSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride
CID 157487253
N-methylethanamine;hydrofluoride
CID 173445578
hafnium;bis(N-methylethanamine)
CID 158490256
bis(N-methylethanamine);molybdenum;hydrate
CID 175328548
dichloromethane;N-methylethanamine
CID 158105373
ethane;methoxymethane;N-methylethanamine
CID 143795990
ethane;methanamine;methane;N-methylethanamine
CID 161245277
N,N-dimethylethanamine;N-methylethanamine
CID 143334981
butane;but-2-ene;methane
CID 161391432
methanimidamide;N-methylethanamine
CID 157328600
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
N-methylethanamine;prop-2-enoic acid
CID 87363958

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-methylethanamine?
The IUPAC name of (Z)-but-2-ene;N-methylethanamine (CID 171622053) is (Z)-but-2-ene;N-methylethanamine.
What is the SMILES notation for (Z)-but-2-ene;N-methylethanamine?
The canonical SMILES for (Z)-but-2-ene;N-methylethanamine is C/C=C\C.CCNC.
What is the InChIKey of (Z)-but-2-ene;N-methylethanamine?
The InChIKey is KIWBOKJZBHAWDD-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H8.C3H9N/c2*1-3-4-2/h3-4H,1-2H3;4H,3H2,1-2H3/b4-3-;.
What are the key properties of (Z)-but-2-ene;N-methylethanamine?
(Z)-but-2-ene;N-methylethanamine has a molecular weight of 115.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-methylethanamine is sourced from PubChem (CID 171622053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).