1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine

C16H21NO — CID 65410110

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO/c1-3-5-9-15(17-4-2)14-11-13-8-6-7-10-16(13)18-12-14/h6-8,10,14-15,17H,4,9,11-12H2,1-2H3
InChIKeyGTMCSRABZTUVDI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.63
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine

1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine (PubChem CID 65410110) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
PubChem CID65410110
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO/c1-3-5-9-15(17-4-2)14-11-13-8-6-7-10-16(13)18-12-14/h6-8,10,14-15,17H,4,9,11-12H2,1-2H3
InChIKeyGTMCSRABZTUVDI-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.63
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-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 65411094
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471
1-(3,4-dihydro-2H-chromen-3-yl)nonylhydrazine
CID 105233938
1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65410299
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine (CID 65410110) is 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine is CC#CCC(NCC)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine?
The InChIKey is GTMCSRABZTUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-9-15(17-4-2)14-11-13-8-6-7-10-16(13)18-12-14/h6-8,10,14-15,17H,4,9,11-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine is sourced from PubChem (CID 65410110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).