N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide

C15H22N2O — CID 54950260

IUPACN-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCNC(=O)C(C)NC1CCCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-11(15(18)16-2)17-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,11,14,17H,4,6,8,10H2,1-2H3,(H,16,18)
InChIKeyCDGLHAFKJFIALR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide

N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (PubChem CID 54950260) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
PubChem CID54950260
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCNC(=O)C(C)NC1CCCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-11(15(18)16-2)17-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,11,14,17H,4,6,8,10H2,1-2H3,(H,16,18)
InChIKeyCDGLHAFKJFIALR-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 43573994
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
CID 103981826
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The IUPAC name of N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (CID 54950260) is N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.
What is the SMILES notation for N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The canonical SMILES for N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is CNC(=O)C(C)NC1CCCCc2ccccc21.
What is the InChIKey of N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The InChIKey is CDGLHAFKJFIALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(15(18)16-2)17-14-10-6-4-8-12-7-3-5-9-13(12)14/h3,5,7,9,11,14,17H,4,6,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is sourced from PubChem (CID 54950260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).