3-but-3-enoxybutan-1-amine

C8H17NO — CID 114997092

IUPAC3-but-3-enoxybutan-1-amine
SMILESC=CCCOC(C)CCN
InChIInChI=1S/C8H17NO/c1-3-4-7-10-8(2)5-6-9/h3,8H,1,4-7,9H2,2H3
InChIKeySLIPNWKZFZSNED-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 3-but-3-enoxybutan-1-amine

3-but-3-enoxybutan-1-amine (PubChem CID 114997092) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-but-3-enoxybutan-1-amine.

Molecular Properties

Compound Name3-but-3-enoxybutan-1-amine
PubChem CID114997092
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-but-3-enoxybutan-1-amine
SMILESC=CCCOC(C)CCN
InChIInChI=1S/C8H17NO/c1-3-4-7-10-8(2)5-6-9/h3,8H,1,4-7,9H2,2H3
InChIKeySLIPNWKZFZSNED-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methylbut-3-enoxy)propan-1-amine
CID 87585793
1-Hepta-1,6-dien-4-yloxyethanamine
CID 88109681
3-Pent-4-en-2-yloxybutan-1-amine
CID 126719458
3-(2,2-Dimethylbut-3-enoxy)-3-methylbutan-1-amine
CID 144589038
(E,7S)-7-methoxyoct-4-en-1-amine
CID 163936478
3-Hexa-1,4-dien-2-yloxypropan-1-amine
CID 173496312
2-Ethoxypent-4-en-1-amine
CID 13708307
3-But-3-enoxypropan-1-amine
CID 62440747
2-But-3-enoxypropan-1-amine
CID 62440748
2-But-3-enoxybutan-1-amine
CID 62443044
2-But-3-enoxy-3-methylbutan-1-amine
CID 62443065
4-But-3-enoxybutan-1-amine
CID 62443068

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxybutan-1-amine?
The IUPAC name of 3-but-3-enoxybutan-1-amine (CID 114997092) is 3-but-3-enoxybutan-1-amine.
What is the SMILES notation for 3-but-3-enoxybutan-1-amine?
The canonical SMILES for 3-but-3-enoxybutan-1-amine is C=CCCOC(C)CCN.
What is the InChIKey of 3-but-3-enoxybutan-1-amine?
The InChIKey is SLIPNWKZFZSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-7-10-8(2)5-6-9/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 3-but-3-enoxybutan-1-amine?
3-but-3-enoxybutan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxybutan-1-amine is sourced from PubChem (CID 114997092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).