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

C16H24N2O — CID 43573994

IUPACN,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCC(NC1CCCCc2ccccc21)C(=O)N(C)C
InChIInChI=1S/C16H24N2O/c1-12(16(19)18(2)3)17-15-11-7-5-9-13-8-4-6-10-14(13)15/h4,6,8,10,12,15,17H,5,7,9,11H2,1-3H3
InChIKeyDBSLDRRKPHGKEA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds3

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

N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (PubChem CID 43573994) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
PubChem CID43573994
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCC(NC1CCCCc2ccccc21)C(=O)N(C)C
InChIInChI=1S/C16H24N2O/c1-12(16(19)18(2)3)17-15-11-7-5-9-13-8-4-6-10-14(13)15/h4,6,8,10,12,15,17H,5,7,9,11H2,1-3H3
InChIKeyDBSLDRRKPHGKEA-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
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)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407
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,N-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 43226352
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The IUPAC name of N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (CID 43573994) is N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The canonical SMILES for N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is CC(NC1CCCCc2ccccc21)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The InChIKey is DBSLDRRKPHGKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(16(19)18(2)3)17-15-11-7-5-9-13-8-4-6-10-14(13)15/h4,6,8,10,12,15,17H,5,7,9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is sourced from PubChem (CID 43573994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).