4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine

C14H17NO — CID 63997289

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine
SMILESCC(C)(N)C#Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H17NO/c1-14(2,15)8-7-11-5-6-13-12(10-11)4-3-9-16-13/h5-6,10H,3-4,9,15H2,1-2H3
InChIKeyNWQWYPYYQYNDQI-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.10
Rot. Bonds

About 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine

4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine (PubChem CID 63997289) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine
PubChem CID63997289
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine
SMILESCC(C)(N)C#Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H17NO/c1-14(2,15)8-7-11-5-6-13-12(10-11)4-3-9-16-13/h5-6,10H,3-4,9,15H2,1-2H3
InChIKeyNWQWYPYYQYNDQI-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.10
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

[(2S)-4-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl] 2,2-dimethylpropanoate
CID 59578558
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
2-(2,3-dihydro-1-benzofuran-5-yl)ethynyl-trimethylazanium
CID 175622677
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
3,4-dihydro-2H-chromen-6-yl 2,2-dimethylpropanoate
CID 130250466
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
3,4-dihydro-2H-chromene;ethane
CID 91076984

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine (CID 63997289) is 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine is CC(C)(N)C#Cc1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine?
The InChIKey is NWQWYPYYQYNDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,15)8-7-11-5-6-13-12(10-11)4-3-9-16-13/h5-6,10H,3-4,9,15H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine?
4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63997289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).