N-ethyl-N-prop-1-enylprop-2-enimidamide

C8H14N2 — CID 123879533

IUPACN-ethyl-N-prop-1-enylprop-2-enimidamide
SMILES[H]/N=C(\C=C)N(C=CC)CC
InChIInChI=1S/C8H14N2/c1-4-7-10(6-3)8(9)5-2/h4-5,7,9H,2,6H2,1,3H3/b7-4?,9-8+
InChIKeyBXDBVRNDWBBDTI-KMAKVMIOSA-N
MW138.21 g/mol
LogP2.01
Rot. Bonds3

About N-ethyl-N-prop-1-enylprop-2-enimidamide

N-ethyl-N-prop-1-enylprop-2-enimidamide (PubChem CID 123879533) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethyl-N-prop-1-enylprop-2-enimidamide.

Molecular Properties

Compound NameN-ethyl-N-prop-1-enylprop-2-enimidamide
PubChem CID123879533
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethyl-N-prop-1-enylprop-2-enimidamide
SMILES[H]/N=C(\C=C)N(C=CC)CC
InChIInChI=1S/C8H14N2/c1-4-7-10(6-3)8(9)5-2/h4-5,7,9H,2,6H2,1,3H3/b7-4?,9-8+
InChIKeyBXDBVRNDWBBDTI-KMAKVMIOSA-N
XLogP2.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.01
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

1-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
1-Prop-2-enylpyridin-2-imine
CID 10866378
1-Ethylpyridin-2(1H)-imine
CID 12924176
2,3-Dimethylpyrimidin-4-imine
CID 13925309
N,N-bis(prop-2-enyl)ethanimidamide
CID 57044771
1-Tert-butylpyridin-2-imine
CID 58097190
N-methyl-N-prop-2-enylethanimidamide
CID 59020721
N-ethyl-N-prop-2-enylethanimidamide
CID 60085606
(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine
CID 67778580
1-Propan-2-ylpyridin-2-imine
CID 68347865
3-[(Z)-prop-1-enyl]pyrimidin-4-imine
CID 88893426
(Z)-3-(dimethylamino)prop-2-enimidamide
CID 89016568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-1-enylprop-2-enimidamide?
The IUPAC name of N-ethyl-N-prop-1-enylprop-2-enimidamide (CID 123879533) is N-ethyl-N-prop-1-enylprop-2-enimidamide.
What is the SMILES notation for N-ethyl-N-prop-1-enylprop-2-enimidamide?
The canonical SMILES for N-ethyl-N-prop-1-enylprop-2-enimidamide is [H]/N=C(\C=C)N(C=CC)CC.
What is the InChIKey of N-ethyl-N-prop-1-enylprop-2-enimidamide?
The InChIKey is BXDBVRNDWBBDTI-KMAKVMIOSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-7-10(6-3)8(9)5-2/h4-5,7,9H,2,6H2,1,3H3/b7-4?,9-8+.
What are the key properties of N-ethyl-N-prop-1-enylprop-2-enimidamide?
N-ethyl-N-prop-1-enylprop-2-enimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-1-enylprop-2-enimidamide is sourced from PubChem (CID 123879533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).