(E)-4-butan-2-yloxybut-2-en-1-amine

C8H17NO — CID 66046314

IUPAC(E)-4-butan-2-yloxybut-2-en-1-amine
SMILESCCC(C)OC/C=C/CN
InChIInChI=1S/C8H17NO/c1-3-8(2)10-7-5-4-6-9/h4-5,8H,3,6-7,9H2,1-2H3/b5-4+
InChIKeyBHUHSKBGPFUFOS-SNAWJCMRSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds5

About (E)-4-butan-2-yloxybut-2-en-1-amine

(E)-4-butan-2-yloxybut-2-en-1-amine (PubChem CID 66046314) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-4-butan-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-butan-2-yloxybut-2-en-1-amine
PubChem CID66046314
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-4-butan-2-yloxybut-2-en-1-amine
SMILESCCC(C)OC/C=C/CN
InChIInChI=1S/C8H17NO/c1-3-8(2)10-7-5-4-6-9/h4-5,8H,3,6-7,9H2,1-2H3/b5-4+
InChIKeyBHUHSKBGPFUFOS-SNAWJCMRSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybut-2-en-1-amine
CID 21966624
(2Z,4E)-5-fluoro-6-propan-2-yloxyhexa-2,4-dien-1-amine
CID 156158758
4-(1,1,1-Trifluoropropan-2-yloxy)but-2-en-1-amine
CID 77102471
CID 53635139
CID 53635139
4-Ethoxybut-2-en-1-amine
CID 54355869
(E)-4-ethoxybut-2-en-1-amine
CID 57436605
2-(3-Methylbut-2-enoxy)propan-1-amine
CID 58684168
2-[(E)-but-2-enoxy]propan-1-amine
CID 58684461
3-[(E)-but-2-enoxy]propan-1-amine
CID 58685071
2-But-2-enoxypropan-1-amine
CID 72391113
3-But-2-enoxypropan-1-amine
CID 72391406
4-Butoxybut-2-en-1-amine
CID 77110437

Frequently Asked Questions

What is the IUPAC name of (E)-4-butan-2-yloxybut-2-en-1-amine?
The IUPAC name of (E)-4-butan-2-yloxybut-2-en-1-amine (CID 66046314) is (E)-4-butan-2-yloxybut-2-en-1-amine.
What is the SMILES notation for (E)-4-butan-2-yloxybut-2-en-1-amine?
The canonical SMILES for (E)-4-butan-2-yloxybut-2-en-1-amine is CCC(C)OC/C=C/CN.
What is the InChIKey of (E)-4-butan-2-yloxybut-2-en-1-amine?
The InChIKey is BHUHSKBGPFUFOS-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(2)10-7-5-4-6-9/h4-5,8H,3,6-7,9H2,1-2H3/b5-4+.
What are the key properties of (E)-4-butan-2-yloxybut-2-en-1-amine?
(E)-4-butan-2-yloxybut-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-butan-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 66046314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).