N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine

C18H27NO — CID 114745087

IUPACN-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2c1OCCC2)C1CCCC1
InChIInChI=1S/C18H27NO/c1-2-12-19-17(14-7-3-4-8-14)16-11-5-9-15-10-6-13-20-18(15)16/h5,9,11,14,17,19H,2-4,6-8,10,12-13H2,1H3
InChIKeyOEHUKWBUUBCQIV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.24
Rot. Bonds5

About N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine

N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine (PubChem CID 114745087) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
PubChem CID114745087
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2c1OCCC2)C1CCCC1
InChIInChI=1S/C18H27NO/c1-2-12-19-17(14-7-3-4-8-14)16-11-5-9-15-10-6-13-20-18(15)16/h5,9,11,14,17,19H,2-4,6-8,10,12-13H2,1H3
InChIKeyOEHUKWBUUBCQIV-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
[cyclohexyl(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 105201959
N-[2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 114745996
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113
[cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105201988
[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105232138
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
CID 63503431
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine (CID 114745087) is N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine is CCCNC(c1cccc2c1OCCC2)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine?
The InChIKey is OEHUKWBUUBCQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-12-19-17(14-7-3-4-8-14)16-11-5-9-15-10-6-13-20-18(15)16/h5,9,11,14,17,19H,2-4,6-8,10,12-13H2,1H3.
What are the key properties of N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine?
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 114745087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).