1-(furan-2-yl)pent-1-yn-3-amine

C9H11NO — CID 106225778

IUPAC1-(furan-2-yl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccco1
InChIInChI=1S/C9H11NO/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7-8H,2,10H2,1H3
InChIKeyHAYSUSLNQCFFKJ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.37
Rot. Bonds1

About 1-(furan-2-yl)pent-1-yn-3-amine

1-(furan-2-yl)pent-1-yn-3-amine (PubChem CID 106225778) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(furan-2-yl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(furan-2-yl)pent-1-yn-3-amine
PubChem CID106225778
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(furan-2-yl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccco1
InChIInChI=1S/C9H11NO/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7-8H,2,10H2,1H3
InChIKeyHAYSUSLNQCFFKJ-UHFFFAOYSA-N
XLogP1.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)pent-1-yn-3-ol
CID 102085937
2-(3-methylbut-1-ynyl)furan
CID 59202131
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(4-benzylphenyl)pent-1-yn-3-amine
CID 106226356
3-(furan-2-yl)prop-2-ynenitrile
CID 12540466
6-(furan-2-yl)hex-5-yn-2-one
CID 125495347
1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine
CID 106225856
2-ethyl-1-(furan-2-yl)-3-methylbutan-1-amine
CID 82408122
CID 177435780
CID 177435780
4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine
CID 129041643
2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
CID 101416013
7-(furan-2-yl)hept-6-yn-2-one
CID 101478956

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)pent-1-yn-3-amine?
The IUPAC name of 1-(furan-2-yl)pent-1-yn-3-amine (CID 106225778) is 1-(furan-2-yl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(furan-2-yl)pent-1-yn-3-amine?
The canonical SMILES for 1-(furan-2-yl)pent-1-yn-3-amine is CCC(N)C#Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)pent-1-yn-3-amine?
The InChIKey is HAYSUSLNQCFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7-8H,2,10H2,1H3.
What are the key properties of 1-(furan-2-yl)pent-1-yn-3-amine?
1-(furan-2-yl)pent-1-yn-3-amine has a molecular weight of 149.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)pent-1-yn-3-amine is sourced from PubChem (CID 106225778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).