1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine

C13H17NO — CID 82608600

IUPAC1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine
SMILESNC1(c2ccc3c(c2)CCOC3)CCC1
InChIInChI=1S/C13H17NO/c14-13(5-1-6-13)12-3-2-11-9-15-7-4-10(11)8-12/h2-3,8H,1,4-7,9,14H2
InChIKeyIZYISOMSTDKITC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.10
Rot. Bonds1

About 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine

1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine (PubChem CID 82608600) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine
PubChem CID82608600
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine
SMILESNC1(c2ccc3c(c2)CCOC3)CCC1
InChIInChI=1S/C13H17NO/c14-13(5-1-6-13)12-3-2-11-9-15-7-4-10(11)8-12/h2-3,8H,1,4-7,9,14H2
InChIKeyIZYISOMSTDKITC-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropan-1-amine
CID 82411137
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
CID 117334916
3,4-dihydro-1H-isochromen-6-amine;hydrochloride
CID 122164228
7-(1-isocyanatocyclobutyl)-3,4-dihydro-1H-isochromene
CID 117330616
1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine
CID 175562301
2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
CID 84795332
ethane;6-methyl-3,4-dihydro-1H-isochromene
CID 143262854
2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
CID 169145384
1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine
CID 82609980
3,4-dihydro-1H-isochromen-6-ylmethanesulfonamide
CID 165470533

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine (CID 82608600) is 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine is NC1(c2ccc3c(c2)CCOC3)CCC1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine?
The InChIKey is IZYISOMSTDKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-13(5-1-6-13)12-3-2-11-9-15-7-4-10(11)8-12/h2-3,8H,1,4-7,9,14H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine?
1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine is sourced from PubChem (CID 82608600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).