4-cyclopentyloxy-N-prop-2-ynylaniline

C14H17NO — CID 63953479

IUPAC4-cyclopentyloxy-N-prop-2-ynylaniline
SMILESC#CCNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H17NO/c1-2-11-15-12-7-9-14(10-8-12)16-13-5-3-4-6-13/h1,7-10,13,15H,3-6,11H2
InChIKeyBZHDKMOJUMPDEC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.05
Rot. Bonds4

About 4-cyclopentyloxy-N-prop-2-ynylaniline

4-cyclopentyloxy-N-prop-2-ynylaniline (PubChem CID 63953479) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-prop-2-ynylaniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-prop-2-ynylaniline
PubChem CID63953479
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-cyclopentyloxy-N-prop-2-ynylaniline
SMILESC#CCNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H17NO/c1-2-11-15-12-7-9-14(10-8-12)16-13-5-3-4-6-13/h1,7-10,13,15H,3-6,11H2
InChIKeyBZHDKMOJUMPDEC-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 82930112
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
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4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
2-(4-cyclopentyloxyanilino)acetamide
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4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
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1-tert-butyl-4-cyclohexyloxybenzene
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4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688032
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
N-[(3-bromophenyl)methyl]-4-cyclopentyloxyaniline
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4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762348
2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922263

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-prop-2-ynylaniline?
The IUPAC name of 4-cyclopentyloxy-N-prop-2-ynylaniline (CID 63953479) is 4-cyclopentyloxy-N-prop-2-ynylaniline.
What is the SMILES notation for 4-cyclopentyloxy-N-prop-2-ynylaniline?
The canonical SMILES for 4-cyclopentyloxy-N-prop-2-ynylaniline is C#CCNc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-prop-2-ynylaniline?
The InChIKey is BZHDKMOJUMPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-11-15-12-7-9-14(10-8-12)16-13-5-3-4-6-13/h1,7-10,13,15H,3-6,11H2.
What are the key properties of 4-cyclopentyloxy-N-prop-2-ynylaniline?
4-cyclopentyloxy-N-prop-2-ynylaniline has a molecular weight of 215.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-prop-2-ynylaniline is sourced from PubChem (CID 63953479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).