ethane;(E)-2-methylbut-2-en-1-amine

C7H17N — CID 143126419

IUPACethane;(E)-2-methylbut-2-en-1-amine
SMILESC/C=C(\C)CN.CC
InChIInChI=1S/C5H11N.C2H6/c1-3-5(2)4-6;1-2/h3H,4,6H2,1-2H3;1-2H3/b5-3+;
InChIKeySCMYQGYXBDPKRE-WGCWOXMQSA-N
MW115.22 g/mol
LogP1.94
Rot. Bonds1

About ethane;(E)-2-methylbut-2-en-1-amine

ethane;(E)-2-methylbut-2-en-1-amine (PubChem CID 143126419) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is ethane;(E)-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-2-methylbut-2-en-1-amine
PubChem CID143126419
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Nameethane;(E)-2-methylbut-2-en-1-amine
SMILESC/C=C(\C)CN.CC
InChIInChI=1S/C5H11N.C2H6/c1-3-5(2)4-6;1-2/h3H,4,6H2,1-2H3;1-2H3/b5-3+;
InChIKeySCMYQGYXBDPKRE-WGCWOXMQSA-N
XLogP1.94
TPSA26.02 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 ≤ 51.94
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

2,5,5-trimethylhex-2-en-1-amine
CID 103392273
ethane;(E)-3-methylpent-2-ene
CID 144523626
(E)-4-methylhex-4-en-1-amine
CID 55285525
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
ethane;3-methylpent-2-ene;propane
CID 144514263
acetaldehyde;1-aminopropan-2-one;ethane;propane
CID 156809732
butane;ethane;3-methylpent-2-ene
CID 145294341
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
(Z)-2,4,5-trimethylhex-2-en-1-amine
CID 131259023
(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-en-1-amine
CID 177320214

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-methylbut-2-en-1-amine?
The IUPAC name of ethane;(E)-2-methylbut-2-en-1-amine (CID 143126419) is ethane;(E)-2-methylbut-2-en-1-amine.
What is the SMILES notation for ethane;(E)-2-methylbut-2-en-1-amine?
The canonical SMILES for ethane;(E)-2-methylbut-2-en-1-amine is C/C=C(\C)CN.CC.
What is the InChIKey of ethane;(E)-2-methylbut-2-en-1-amine?
The InChIKey is SCMYQGYXBDPKRE-WGCWOXMQSA-N. The full InChI is InChI=1S/C5H11N.C2H6/c1-3-5(2)4-6;1-2/h3H,4,6H2,1-2H3;1-2H3/b5-3+;.
What are the key properties of ethane;(E)-2-methylbut-2-en-1-amine?
ethane;(E)-2-methylbut-2-en-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-methylbut-2-en-1-amine is sourced from PubChem (CID 143126419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).