1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine

C14H17NO — CID 106226053

IUPAC1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccc(OC2CC2)cc1
InChIInChI=1S/C14H17NO/c1-2-12(15)6-3-11-4-7-13(8-5-11)16-14-9-10-14/h4-5,7-8,12,14H,2,9-10,15H2,1H3
InChIKeyDNPOMUQWKLJICT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine

1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine (PubChem CID 106226053) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine
PubChem CID106226053
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccc(OC2CC2)cc1
InChIInChI=1S/C14H17NO/c1-2-12(15)6-3-11-4-7-13(8-5-11)16-14-9-10-14/h4-5,7-8,12,14H,2,9-10,15H2,1H3
InChIKeyDNPOMUQWKLJICT-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine (CID 106226053) is 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine is CCC(N)C#Cc1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine?
The InChIKey is DNPOMUQWKLJICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-12(15)6-3-11-4-7-13(8-5-11)16-14-9-10-14/h4-5,7-8,12,14H,2,9-10,15H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine?
1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)pent-1-yn-3-amine is sourced from PubChem (CID 106226053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).