3-propoxybut-3-en-1-amine

C7H15NO — CID 155570679

IUPAC3-propoxybut-3-en-1-amine
SMILESC=C(CCN)OCCC
InChIInChI=1S/C7H15NO/c1-3-6-9-7(2)4-5-8/h2-6,8H2,1H3
InChIKeyAQWGCRCUGOZION-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.28
Rot. Bonds5

About 3-propoxybut-3-en-1-amine

3-propoxybut-3-en-1-amine (PubChem CID 155570679) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-propoxybut-3-en-1-amine.

Molecular Properties

Compound Name3-propoxybut-3-en-1-amine
PubChem CID155570679
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-propoxybut-3-en-1-amine
SMILESC=C(CCN)OCCC
InChIInChI=1S/C7H15NO/c1-3-6-9-7(2)4-5-8/h2-6,8H2,1H3
InChIKeyAQWGCRCUGOZION-UHFFFAOYSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-But-1-en-2-yloxybut-1-ene;ethanamine
CID 21549039
2-Prop-1-en-2-yloxyethanamine
CID 89149682
3-Ethoxybut-3-en-1-amine
CID 89171702
2-But-1-en-2-yloxyethanamine
CID 89204406
3-Methoxybut-3-en-1-amine
CID 89264894
4-Propoxypent-4-en-2-amine
CID 117626742
3-Butoxybut-3-en-1-amine
CID 117817063
2-(3-Methylbut-1-en-2-yloxy)ethanamine
CID 130242421
3-(2-Methylpropoxy)but-3-en-1-amine
CID 130402786
4-Prop-1-en-2-yloxybutan-2-amine
CID 138563169
4-Ethoxypent-4-en-1-amine
CID 139310574
3-Methoxypenta-3,4-dien-1-amine
CID 139950067

Frequently Asked Questions

What is the IUPAC name of 3-propoxybut-3-en-1-amine?
The IUPAC name of 3-propoxybut-3-en-1-amine (CID 155570679) is 3-propoxybut-3-en-1-amine.
What is the SMILES notation for 3-propoxybut-3-en-1-amine?
The canonical SMILES for 3-propoxybut-3-en-1-amine is C=C(CCN)OCCC.
What is the InChIKey of 3-propoxybut-3-en-1-amine?
The InChIKey is AQWGCRCUGOZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-9-7(2)4-5-8/h2-6,8H2,1H3.
What are the key properties of 3-propoxybut-3-en-1-amine?
3-propoxybut-3-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxybut-3-en-1-amine is sourced from PubChem (CID 155570679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).