N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine

C17H26N2O — CID 107171928

IUPACN-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine
SMILESCC1COc2ccccc2C1N(C)C1CCCNCC1
InChIInChI=1S/C17H26N2O/c1-13-12-20-16-8-4-3-7-15(16)17(13)19(2)14-6-5-10-18-11-9-14/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3
InChIKeyJABFCHSRNNCHRW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds2

About N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine

N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine (PubChem CID 107171928) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine
PubChem CID107171928
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine
SMILESCC1COc2ccccc2C1N(C)C1CCCNCC1
InChIInChI=1S/C17H26N2O/c1-13-12-20-16-8-4-3-7-15(16)17(13)19(2)14-6-5-10-18-11-9-14/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3
InChIKeyJABFCHSRNNCHRW-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
CID 113422693
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azetidin-3-amine
CID 113422694
N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 107172050
N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624364
4-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]oxolane-3-carboxylic acid
CID 104524841
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
CID 79230131
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 104524608
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine?
The IUPAC name of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine (CID 107171928) is N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine is CC1COc2ccccc2C1N(C)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine?
The InChIKey is JABFCHSRNNCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-12-20-16-8-4-3-7-15(16)17(13)19(2)14-6-5-10-18-11-9-14/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine?
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine is sourced from PubChem (CID 107171928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).