(Z)-3-ethoxyprop-1-ene-1,2-diamine

C5H12N2O — CID 142457122

IUPAC(Z)-3-ethoxyprop-1-ene-1,2-diamine
SMILESCCOC/C(N)=C/N
InChIInChI=1S/C5H12N2O/c1-2-8-4-5(7)3-6/h3H,2,4,6-7H2,1H3/b5-3-
InChIKeyXDWWBTOLZFQFQM-HYXAFXHYSA-N
MW116.16 g/mol
LogP-0.22
Rot. Bonds3

About (Z)-3-ethoxyprop-1-ene-1,2-diamine

(Z)-3-ethoxyprop-1-ene-1,2-diamine (PubChem CID 142457122) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-3-ethoxyprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-ethoxyprop-1-ene-1,2-diamine
PubChem CID142457122
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(Z)-3-ethoxyprop-1-ene-1,2-diamine
SMILESCCOC/C(N)=C/N
InChIInChI=1S/C5H12N2O/c1-2-8-4-5(7)3-6/h3H,2,4,6-7H2,1H3/b5-3-
InChIKeyXDWWBTOLZFQFQM-HYXAFXHYSA-N
XLogP-0.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-[amino(fluoro)amino]-3-propoxyprop-1-en-2-amine
CID 176704828
1-[(E)-3-aminoprop-2-enoxy]propan-2-amine
CID 20780509
3-Methoxyprop-1-en-2-amine
CID 58166166
3-(2-Aminoprop-2-enoxy)prop-1-en-2-amine
CID 88445178
2-(3-Aminoprop-2-enoxy)propan-1-amine
CID 89050463
(Z)-2-N-methyl-3-propan-2-yloxyprop-1-ene-1,2-diamine
CID 132206614
(Z)-1-N-methyl-3-propan-2-yloxyprop-1-ene-1,2-diamine
CID 132206922
(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine
CID 139572287
(Z)-1-hydrazinyl-3-methoxyprop-1-en-2-amine
CID 144565913
3-Ethoxyprop-1-en-2-amine
CID 145467534
3-(2-Aminoethoxy)prop-1-en-2-amine
CID 148388474
1-(2-Aminoprop-2-enoxy)propan-2-amine
CID 149245719

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxyprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3-ethoxyprop-1-ene-1,2-diamine (CID 142457122) is (Z)-3-ethoxyprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-ethoxyprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3-ethoxyprop-1-ene-1,2-diamine is CCOC/C(N)=C/N.
What is the InChIKey of (Z)-3-ethoxyprop-1-ene-1,2-diamine?
The InChIKey is XDWWBTOLZFQFQM-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-8-4-5(7)3-6/h3H,2,4,6-7H2,1H3/b5-3-.
What are the key properties of (Z)-3-ethoxyprop-1-ene-1,2-diamine?
(Z)-3-ethoxyprop-1-ene-1,2-diamine has a molecular weight of 116.16 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxyprop-1-ene-1,2-diamine is sourced from PubChem (CID 142457122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).