N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine

C17H25NO — CID 105080766

IUPACN-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
SMILESCCNC(C1CCCC1)C1OCCc2ccccc21
InChIInChI=1S/C17H25NO/c1-2-18-16(14-8-3-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h5-7,10,14,16-18H,2-4,8-9,11-12H2,1H3
InChIKeyLUCCQQYPTGZRPH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds4

About N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine

N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine (PubChem CID 105080766) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
PubChem CID105080766
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
SMILESCCNC(C1CCCC1)C1OCCc2ccccc21
InChIInChI=1S/C17H25NO/c1-2-18-16(14-8-3-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h5-7,10,14,16-18H,2-4,8-9,11-12H2,1H3
InChIKeyLUCCQQYPTGZRPH-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583
N-[3,4-dihydro-1H-isochromen-1-yl(pyrimidin-5-yl)methyl]ethanamine
CID 105118645
1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105165027
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylbut-3-yn-1-amine
CID 105077265
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 105154403
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
CID 105170411

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine (CID 105080766) is N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine is CCNC(C1CCCC1)C1OCCc2ccccc21.
What is the InChIKey of N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine?
The InChIKey is LUCCQQYPTGZRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-16(14-8-3-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h5-7,10,14,16-18H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine?
N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 4 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-1H-isochromen-1-yl)methyl]ethanamine is sourced from PubChem (CID 105080766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).