3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine

C17H25NO — CID 104771828

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
SMILESNC1CCCCC(CC2CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO/c18-15-6-2-1-5-13(12-15)11-14-9-10-19-17-8-4-3-7-16(14)17/h3-4,7-8,13-15H,1-2,5-6,9-12,18H2
InChIKeyDBVVOVQDTNPQLF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.85
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine

3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine (PubChem CID 104771828) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
PubChem CID104771828
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
SMILESNC1CCCCC(CC2CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO/c18-15-6-2-1-5-13(12-15)11-14-9-10-19-17-8-4-3-7-16(14)17/h3-4,7-8,13-15H,1-2,5-6,9-12,18H2
InChIKeyDBVVOVQDTNPQLF-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol
CID 79229291
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclobutan-1-amine
CID 104768849
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
CID 104772516
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
2-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclobutane-1-carboxylic acid
CID 104772491
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 106781123
(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669849

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine (CID 104771828) is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine is NC1CCCCC(CC2CCOc3ccccc32)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is DBVVOVQDTNPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-15-6-2-1-5-13(12-15)11-14-9-10-19-17-8-4-3-7-16(14)17/h3-4,7-8,13-15H,1-2,5-6,9-12,18H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine?
3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 104771828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).