N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine

C19H21N — CID 62921103

IUPACN-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine
SMILESc1ccc2c(c1)Cc1ccccc1C2NCC1CCC1
InChIInChI=1S/C19H21N/c1-3-10-17-15(8-1)12-16-9-2-4-11-18(16)19(17)20-13-14-6-5-7-14/h1-4,8-11,14,19-20H,5-7,12-13H2
InChIKeyDXSXVPWSLIGKSX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.07
Rot. Bonds3

About N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine

N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine (PubChem CID 62921103) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine
PubChem CID62921103
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine
SMILESc1ccc2c(c1)Cc1ccccc1C2NCC1CCC1
InChIInChI=1S/C19H21N/c1-3-10-17-15(8-1)12-16-9-2-4-11-18(16)19(17)20-13-14-6-5-7-14/h1-4,8-11,14,19-20H,5-7,12-13H2
InChIKeyDXSXVPWSLIGKSX-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine (CID 62921103) is N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine is c1ccc2c(c1)Cc1ccccc1C2NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine?
The InChIKey is DXSXVPWSLIGKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-3-10-17-15(8-1)12-16-9-2-4-11-18(16)19(17)20-13-14-6-5-7-14/h1-4,8-11,14,19-20H,5-7,12-13H2.
What are the key properties of N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine?
N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine has a molecular weight of 263.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 62921103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).