4-but-3-enoxybutan-1-amine

C8H17NO — CID 62443068

IUPAC4-but-3-enoxybutan-1-amine
SMILESC=CCCOCCCCN
InChIInChI=1S/C8H17NO/c1-2-3-7-10-8-5-4-6-9/h2H,1,3-9H2
InChIKeyHCQCXMDRTNRMJY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds7

About 4-but-3-enoxybutan-1-amine

4-but-3-enoxybutan-1-amine (PubChem CID 62443068) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-but-3-enoxybutan-1-amine.

Molecular Properties

Compound Name4-but-3-enoxybutan-1-amine
PubChem CID62443068
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-but-3-enoxybutan-1-amine
SMILESC=CCCOCCCCN
InChIInChI=1S/C8H17NO/c1-2-3-7-10-8-5-4-6-9/h2H,1,3-9H2
InChIKeyHCQCXMDRTNRMJY-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
1-bromo-9-but-3-enoxynonane
CID 105343299
12-dodec-11-enoxydodec-1-ene
CID 87325659
(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine
CID 89036460
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
heptadec-16-en-1-amine
CID 15590771
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
docos-21-en-1-amine;hydrochloride
CID 153323410

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxybutan-1-amine?
The IUPAC name of 4-but-3-enoxybutan-1-amine (CID 62443068) is 4-but-3-enoxybutan-1-amine.
What is the SMILES notation for 4-but-3-enoxybutan-1-amine?
The canonical SMILES for 4-but-3-enoxybutan-1-amine is C=CCCOCCCCN.
What is the InChIKey of 4-but-3-enoxybutan-1-amine?
The InChIKey is HCQCXMDRTNRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-7-10-8-5-4-6-9/h2H,1,3-9H2.
What are the key properties of 4-but-3-enoxybutan-1-amine?
4-but-3-enoxybutan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxybutan-1-amine is sourced from PubChem (CID 62443068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).