(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine

C9H17N — CID 156896524

IUPAC(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
SMILESC=C/C(=C\C)CNC(C)C
InChIInChI=1S/C9H17N/c1-5-9(6-2)7-10-8(3)4/h5-6,8,10H,1,7H2,2-4H3/b9-6+
InChIKeyIDLLOEQCKUWSOY-RMKNXTFCSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds4

About (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine

(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine (PubChem CID 156896524) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
PubChem CID156896524
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
SMILESC=C/C(=C\C)CNC(C)C
InChIInChI=1S/C9H17N/c1-5-9(6-2)7-10-8(3)4/h5-6,8,10H,1,7H2,2-4H3/b9-6+
InChIKeyIDLLOEQCKUWSOY-RMKNXTFCSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine
CID 166807119
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
CID 143978564
1-(propan-2-ylamino)hex-5-en-2-one
CID 116554839
N-prop-2-enylpropan-2-amine
CID 159979595
N-prop-2-enylpropan-2-amine
CID 520711
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
4-ethenylhexa-1,4-diene
CID 85441048
(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine
CID 129032149
(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
CID 144585216

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine (CID 156896524) is (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine is C=C/C(=C\C)CNC(C)C.
What is the InChIKey of (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is IDLLOEQCKUWSOY-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17N/c1-5-9(6-2)7-10-8(3)4/h5-6,8,10H,1,7H2,2-4H3/b9-6+.
What are the key properties of (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine?
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 156896524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).