5-propoxypent-1-en-3-amine

C8H17NO — CID 105161176

IUPAC5-propoxypent-1-en-3-amine
SMILESC=CC(N)CCOCCC
InChIInChI=1S/C8H17NO/c1-3-6-10-7-5-8(9)4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeyITQPYRQOMVFXMH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 5-propoxypent-1-en-3-amine

5-propoxypent-1-en-3-amine (PubChem CID 105161176) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-propoxypent-1-en-3-amine.

Molecular Properties

Compound Name5-propoxypent-1-en-3-amine
PubChem CID105161176
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-propoxypent-1-en-3-amine
SMILESC=CC(N)CCOCCC
InChIInChI=1S/C8H17NO/c1-3-6-10-7-5-8(9)4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeyITQPYRQOMVFXMH-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

4-Propoxypent-4-en-2-amine
CID 117626742
4-Butan-2-yloxypent-4-en-2-amine
CID 126663228
(3R)-5-methoxypent-1-en-3-amine
CID 137495270
3-Octa-4,5-dienoxypropan-1-amine
CID 141974109
2-Ethoxyhexa-1,5-dien-3-amine
CID 143200849
Molecular hydrogen;6-propoxyhex-1-en-3-amine
CID 144401696
Ethane;4-propoxypent-4-en-2-amine
CID 144489508
3-Pent-4-enoxypropan-1-amine
CID 55284325
1-Methoxyhex-5-en-3-amine
CID 61412819
1-Propoxypent-4-en-2-amine
CID 61810750
3-pent-4-enoxy-N-propan-2-ylpropan-1-amine
CID 64313588
5-Methoxypent-1-en-3-amine
CID 65575977

Frequently Asked Questions

What is the IUPAC name of 5-propoxypent-1-en-3-amine?
The IUPAC name of 5-propoxypent-1-en-3-amine (CID 105161176) is 5-propoxypent-1-en-3-amine.
What is the SMILES notation for 5-propoxypent-1-en-3-amine?
The canonical SMILES for 5-propoxypent-1-en-3-amine is C=CC(N)CCOCCC.
What is the InChIKey of 5-propoxypent-1-en-3-amine?
The InChIKey is ITQPYRQOMVFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-6-10-7-5-8(9)4-2/h4,8H,2-3,5-7,9H2,1H3.
What are the key properties of 5-propoxypent-1-en-3-amine?
5-propoxypent-1-en-3-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 5-propoxypent-1-en-3-amine is sourced from PubChem (CID 105161176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).