5-propoxypent-1-yn-3-amine

C8H15NO — CID 105158278

IUPAC5-propoxypent-1-yn-3-amine
SMILESC#CC(N)CCOCCC
InChIInChI=1S/C8H15NO/c1-3-6-10-7-5-8(9)4-2/h2,8H,3,5-7,9H2,1H3
InChIKeyFDBFIMXCIGBTDU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds5

About 5-propoxypent-1-yn-3-amine

5-propoxypent-1-yn-3-amine (PubChem CID 105158278) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-propoxypent-1-yn-3-amine.

Molecular Properties

Compound Name5-propoxypent-1-yn-3-amine
PubChem CID105158278
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-propoxypent-1-yn-3-amine
SMILESC#CC(N)CCOCCC
InChIInChI=1S/C8H15NO/c1-3-6-10-7-5-8(9)4-2/h2,8H,3,5-7,9H2,1H3
InChIKeyFDBFIMXCIGBTDU-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-propoxypent-1-yn-3-ol
CID 105106146
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
3-methyl-1-propoxypentane
CID 123388243
pent-1-yn-3-amine;hydrochloride
CID 75480843
5-methyl-1-propoxyhex-4-en-3-amine
CID 105163317
4-propoxybutan-2-ylhydrazine
CID 105282576
6-methylsulfonyl-1-propoxyhexan-3-amine
CID 105113081
1-cyclopropyl-4-propoxybutan-2-amine
CID 105152821
3-methyl-1-propoxyhexan-2-amine
CID 105008414
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
N-(2-propoxyethyl)pent-4-yn-2-amine
CID 106452525

Frequently Asked Questions

What is the IUPAC name of 5-propoxypent-1-yn-3-amine?
The IUPAC name of 5-propoxypent-1-yn-3-amine (CID 105158278) is 5-propoxypent-1-yn-3-amine.
What is the SMILES notation for 5-propoxypent-1-yn-3-amine?
The canonical SMILES for 5-propoxypent-1-yn-3-amine is C#CC(N)CCOCCC.
What is the InChIKey of 5-propoxypent-1-yn-3-amine?
The InChIKey is FDBFIMXCIGBTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-10-7-5-8(9)4-2/h2,8H,3,5-7,9H2,1H3.
What are the key properties of 5-propoxypent-1-yn-3-amine?
5-propoxypent-1-yn-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxypent-1-yn-3-amine is sourced from PubChem (CID 105158278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).