5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C18H27NO — CID 19028213

IUPAC5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESC=C(C)c1cccc2c1CC(N(CCC)CCC)CO2
InChIInChI=1S/C18H27NO/c1-5-10-19(11-6-2)15-12-17-16(14(3)4)8-7-9-18(17)20-13-15/h7-9,15H,3,5-6,10-13H2,1-2,4H3
InChIKeyNCBNYCHMTLRTES-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.15
Rot. Bonds6

About 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 19028213) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID19028213
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESC=C(C)c1cccc2c1CC(N(CCC)CCC)CO2
InChIInChI=1S/C18H27NO/c1-5-10-19(11-6-2)15-12-17-16(14(3)4)8-7-9-18(17)20-13-15/h7-9,15H,3,5-6,10-13H2,1-2,4H3
InChIKeyNCBNYCHMTLRTES-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
CID 18982031
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 18933170
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl] 2,2-dimethylpropanoate;hydrobromide
CID 14330508
5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 54110827
[3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]methanol
CID 19028167
N,N-di(propan-2-yl)formamide;N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028248
(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 129384642
4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
CID 10563531
2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
CID 139959563

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 19028213) is 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is C=C(C)c1cccc2c1CC(N(CCC)CCC)CO2.
What is the InChIKey of 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is NCBNYCHMTLRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-10-19(11-6-2)15-12-17-16(14(3)4)8-7-9-18(17)20-13-15/h7-9,15H,3,5-6,10-13H2,1-2,4H3.
What are the key properties of 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 273.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 19028213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).