(E)-N,2-diethylbut-2-en-1-amine

C8H17N — CID 144565288

IUPAC(E)-N,2-diethylbut-2-en-1-amine
SMILESC/C=C(\CC)CNCC
InChIInChI=1S/C8H17N/c1-4-8(5-2)7-9-6-3/h4,9H,5-7H2,1-3H3/b8-4+
InChIKeyVMFPJDMQHYRHQC-XBXARRHUSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds4

About (E)-N,2-diethylbut-2-en-1-amine

(E)-N,2-diethylbut-2-en-1-amine (PubChem CID 144565288) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-N,2-diethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-diethylbut-2-en-1-amine
PubChem CID144565288
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-N,2-diethylbut-2-en-1-amine
SMILESC/C=C(\CC)CNCC
InChIInChI=1S/C8H17N/c1-4-8(5-2)7-9-6-3/h4,9H,5-7H2,1-3H3/b8-4+
InChIKeyVMFPJDMQHYRHQC-XBXARRHUSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.95
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-(cyclopropylmethylidene)-N-ethylbutan-1-amine
CID 79329303
(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
CID 134406306
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79329656
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
CID 79329546
N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine
CID 104863071
N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine
CID 115278079
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine
CID 134926768
(5Z)-3,5-diethylocta-2,5-diene
CID 123811464
3-(chloromethyl)pent-2-ene
CID 123349143
1-(ethylamino)-4-methylidenehexan-2-one
CID 116562696
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
(Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine
CID 10219068

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-diethylbut-2-en-1-amine?
The IUPAC name of (E)-N,2-diethylbut-2-en-1-amine (CID 144565288) is (E)-N,2-diethylbut-2-en-1-amine.
What is the SMILES notation for (E)-N,2-diethylbut-2-en-1-amine?
The canonical SMILES for (E)-N,2-diethylbut-2-en-1-amine is C/C=C(\CC)CNCC.
What is the InChIKey of (E)-N,2-diethylbut-2-en-1-amine?
The InChIKey is VMFPJDMQHYRHQC-XBXARRHUSA-N. The full InChI is InChI=1S/C8H17N/c1-4-8(5-2)7-9-6-3/h4,9H,5-7H2,1-3H3/b8-4+.
What are the key properties of (E)-N,2-diethylbut-2-en-1-amine?
(E)-N,2-diethylbut-2-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-diethylbut-2-en-1-amine is sourced from PubChem (CID 144565288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).