ethane;(E)-3-methylpent-2-en-1-amine

C8H19N — CID 143325002

IUPACethane;(E)-3-methylpent-2-en-1-amine
SMILESCC.CC/C(C)=C/CN
InChIInChI=1S/C6H13N.C2H6/c1-3-6(2)4-5-7;1-2/h4H,3,5,7H2,1-2H3;1-2H3/b6-4+;
InChIKeyWLTZXPZKCFLJAM-CVDVRWGVSA-N
MW129.25 g/mol
LogP2.33
Rot. Bonds2

About ethane;(E)-3-methylpent-2-en-1-amine

ethane;(E)-3-methylpent-2-en-1-amine (PubChem CID 143325002) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is ethane;(E)-3-methylpent-2-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-3-methylpent-2-en-1-amine
PubChem CID143325002
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Nameethane;(E)-3-methylpent-2-en-1-amine
SMILESCC.CC/C(C)=C/CN
InChIInChI=1S/C6H13N.C2H6/c1-3-6(2)4-5-7;1-2/h4H,3,5,7H2,1-2H3;1-2H3/b6-4+;
InChIKeyWLTZXPZKCFLJAM-CVDVRWGVSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.33
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

3-methylpent-2-en-1-amine
CID 76997051
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
(E)-4-methylhex-3-en-1-amine
CID 63969892
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
3-ethylpent-2-en-1-amine
CID 63969670
ethane;(E)-3-methylpent-2-ene
CID 144523626
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167
(Z)-5-methylhept-4-en-2-amine
CID 143746463
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
(E)-4-aminobut-2-en-2-ol
CID 163890736
ethane;3-methylpent-2-ene;propane
CID 144514263

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-methylpent-2-en-1-amine?
The IUPAC name of ethane;(E)-3-methylpent-2-en-1-amine (CID 143325002) is ethane;(E)-3-methylpent-2-en-1-amine.
What is the SMILES notation for ethane;(E)-3-methylpent-2-en-1-amine?
The canonical SMILES for ethane;(E)-3-methylpent-2-en-1-amine is CC.CC/C(C)=C/CN.
What is the InChIKey of ethane;(E)-3-methylpent-2-en-1-amine?
The InChIKey is WLTZXPZKCFLJAM-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-3-6(2)4-5-7;1-2/h4H,3,5,7H2,1-2H3;1-2H3/b6-4+;.
What are the key properties of ethane;(E)-3-methylpent-2-en-1-amine?
ethane;(E)-3-methylpent-2-en-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-methylpent-2-en-1-amine is sourced from PubChem (CID 143325002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).