(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine

C7H16N2 — CID 130458461

IUPAC(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine
SMILESCCN/C(=C/NC)CC
InChIInChI=1S/C7H16N2/c1-4-7(6-8-3)9-5-2/h6,8-9H,4-5H2,1-3H3/b7-6+
InChIKeyBUCCFVVPMOPFPB-VOTSOKGWSA-N
MW128.22 g/mol
LogP1.07
Rot. Bonds4

About (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine

(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine (PubChem CID 130458461) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine
PubChem CID130458461
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine
SMILESCCN/C(=C/NC)CC
InChIInChI=1S/C7H16N2/c1-4-7(6-8-3)9-5-2/h6,8-9H,4-5H2,1-3H3/b7-6+
InChIKeyBUCCFVVPMOPFPB-VOTSOKGWSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(Z)-2-N-ethyl-1-N-methylprop-1-ene-1,2-diamine
CID 142848070
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CID 89094997
3-(ethylamino)undec-3-en-5-one
CID 71405997
(E)-2-bromo-N-methylbut-1-en-1-amine
CID 139541532
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
(Z)-1-fluoro-N-methylbut-1-en-2-amine
CID 166762662
(Z)-2-N-methylbut-1-ene-1,2-diamine
CID 88582917
1-N,1-N'-diethylprop-1-ene-1,1-diamine
CID 87221910
(Z)-N-ethyl-4-oxohex-2-enamide
CID 88554244
(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
CID 170238799
N-[(Z)-1-hydrazinylbut-1-en-2-yl]pentan-1-amine
CID 144944962

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine (CID 130458461) is (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine is CCN/C(=C/NC)CC.
What is the InChIKey of (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine?
The InChIKey is BUCCFVVPMOPFPB-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(6-8-3)9-5-2/h6,8-9H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine?
(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine is sourced from PubChem (CID 130458461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).