ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine

C10H19NO — CID 144633616

IUPACethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine
SMILESC=C.C=C/C(=C\C)[C@H](N)COC
InChIInChI=1S/C8H15NO.C2H4/c1-4-7(5-2)8(9)6-10-3;1-2/h4-5,8H,1,6,9H2,2-3H3;1-2H2/b7-5+;/t8-;/m1./s1
InChIKeyKEMSTPCJZPDMFX-ZLAVLSMZSA-N
MW169.27 g/mol
LogP1.89
Rot. Bonds4

About ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine

ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine (PubChem CID 144633616) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine.

Molecular Properties

Compound Nameethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine
PubChem CID144633616
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine
SMILESC=C.C=C/C(=C\C)[C@H](N)COC
InChIInChI=1S/C8H15NO.C2H4/c1-4-7(5-2)8(9)6-10-3;1-2/h4-5,8H,1,6,9H2,2-3H3;1-2H2/b7-5+;/t8-;/m1./s1
InChIKeyKEMSTPCJZPDMFX-ZLAVLSMZSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine
CID 91441153
1-Cyclohexa-1,5-dien-1-yl-2-methoxyethanamine
CID 67160130
1-(Methoxymethyl)cyclohexa-3,5-diene-1,2-diamine
CID 69347081
(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine
CID 89043467
(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
CID 89154086
1-(Cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine
CID 89297529
2-Amino-3-prop-1-enylhex-3-en-1-ol
CID 90939141
2-Amino-3-ethenylocta-3,5-dien-1-ol
CID 123257889
2-Amino-2-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)ethanol
CID 123591954
1-Methoxyhepta-4,6-dien-2-amine
CID 123960328
(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine
CID 129090549
2-Amino-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethanol
CID 130283849

Frequently Asked Questions

What is the IUPAC name of ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine?
The IUPAC name of ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine (CID 144633616) is ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine.
What is the SMILES notation for ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine?
The canonical SMILES for ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine is C=C.C=C/C(=C\C)[C@H](N)COC.
What is the InChIKey of ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine?
The InChIKey is KEMSTPCJZPDMFX-ZLAVLSMZSA-N. The full InChI is InChI=1S/C8H15NO.C2H4/c1-4-7(5-2)8(9)6-10-3;1-2/h4-5,8H,1,6,9H2,2-3H3;1-2H2/b7-5+;/t8-;/m1./s1.
What are the key properties of ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine?
ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine is sourced from PubChem (CID 144633616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).