6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

C18H28N2O — CID 63727365

IUPAC6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCN(CC1CCOCC1)C1CCCc2ccccc2C1N
InChIInChI=1S/C18H28N2O/c1-20(13-14-9-11-21-12-10-14)17-8-4-6-15-5-2-3-7-16(15)18(17)19/h2-3,5,7,14,17-18H,4,6,8-13,19H2,1H3
InChIKeyYFTLIQXGYJUPNU-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.75
Rot. Bonds3

About 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (PubChem CID 63727365) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
PubChem CID63727365
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCN(CC1CCOCC1)C1CCCc2ccccc2C1N
InChIInChI=1S/C18H28N2O/c1-20(13-14-9-11-21-12-10-14)17-8-4-6-15-5-2-3-7-16(15)18(17)19/h2-3,5,7,14,17-18H,4,6,8-13,19H2,1H3
InChIKeyYFTLIQXGYJUPNU-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine with MolForge

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Related Compounds

6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43272852
6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 81058338
6-N-ethyl-6-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43268680
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63725634
5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82980837
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43295683
N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63713346
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine
CID 63275813
(1S,2S)-2-N-methyl-1-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-N-(oxan-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 174168257
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (CID 63727365) is 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is CN(CC1CCOCC1)C1CCCc2ccccc2C1N.
What is the InChIKey of 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The InChIKey is YFTLIQXGYJUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(13-14-9-11-21-12-10-14)17-8-4-6-15-5-2-3-7-16(15)18(17)19/h2-3,5,7,14,17-18H,4,6,8-13,19H2,1H3.
What are the key properties of 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine has a molecular weight of 288.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is sourced from PubChem (CID 63727365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).