3-pent-4-enoxypropan-1-amine

C8H17NO — CID 55284325

IUPAC3-pent-4-enoxypropan-1-amine
SMILESC=CCCCOCCCN
InChIInChI=1S/C8H17NO/c1-2-3-4-7-10-8-5-6-9/h2H,1,3-9H2
InChIKeyZLTJFAZXAHOBKL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds7

About 3-pent-4-enoxypropan-1-amine

3-pent-4-enoxypropan-1-amine (PubChem CID 55284325) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-pent-4-enoxypropan-1-amine.

Molecular Properties

Compound Name3-pent-4-enoxypropan-1-amine
PubChem CID55284325
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-pent-4-enoxypropan-1-amine
SMILESC=CCCCOCCCN
InChIInChI=1S/C8H17NO/c1-2-3-4-7-10-8-5-6-9/h2H,1,3-9H2
InChIKeyZLTJFAZXAHOBKL-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

2,2-Difluoro-3-(pent-4-en-1-yloxy)propan-1-amine
CID 165466390
3-But-3-enoxypropan-1-amine
CID 62440747
2-Hex-5-enoxyethanamine
CID 59316214
3-(2-Methylbut-3-enoxy)propan-1-amine
CID 87585793
(E)-7-methoxyhept-3-en-1-amine
CID 89994387
2-[2-(2-Pent-4-enoxyethoxy)ethoxy]ethanamine
CID 91463508
3-Butoxybut-3-en-1-amine
CID 117817063
3-Docosa-4,7,10,13,16,19-hexaenoxypropan-1-amine
CID 123859745
3-Pent-4-en-2-yloxybutan-1-amine
CID 126719458
3-[2-(2-Pent-4-enoxyethoxy)ethoxy]propan-1-amine
CID 130215979
2-(2-Pent-4-enoxyethoxy)ethanamine
CID 132147373
2-Ethoxyethanamine;pent-1-ene
CID 135357820

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoxypropan-1-amine?
The IUPAC name of 3-pent-4-enoxypropan-1-amine (CID 55284325) is 3-pent-4-enoxypropan-1-amine.
What is the SMILES notation for 3-pent-4-enoxypropan-1-amine?
The canonical SMILES for 3-pent-4-enoxypropan-1-amine is C=CCCCOCCCN.
What is the InChIKey of 3-pent-4-enoxypropan-1-amine?
The InChIKey is ZLTJFAZXAHOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-7-10-8-5-6-9/h2H,1,3-9H2.
What are the key properties of 3-pent-4-enoxypropan-1-amine?
3-pent-4-enoxypropan-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 3-pent-4-enoxypropan-1-amine is sourced from PubChem (CID 55284325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).