3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine

C17H25NO — CID 64909410

IUPAC3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(CC2OCCc3ccccc32)C1C
InChIInChI=1S/C17H25NO/c1-12-14(7-8-16(12)18-2)11-17-15-6-4-3-5-13(15)9-10-19-17/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKeyNFKGQXXUBZNUDA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.32
Rot. Bonds3

About 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine

3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 64909410) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID64909410
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(CC2OCCc3ccccc32)C1C
InChIInChI=1S/C17H25NO/c1-12-14(7-8-16(12)18-2)11-17-15-6-4-3-5-13(15)9-10-19-17/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKeyNFKGQXXUBZNUDA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine (CID 64909410) is 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(CC2OCCc3ccccc32)C1C.
What is the InChIKey of 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is NFKGQXXUBZNUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-14(7-8-16(12)18-2)11-17-15-6-4-3-5-13(15)9-10-19-17/h3-6,12,14,16-18H,7-11H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine?
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).