N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

C18H28N2O — CID 103495167

IUPACN-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1N1CCC(C(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)14-8-10-20(11-9-14)16-12-21-17-7-5-4-6-15(17)18(16)19-3/h4-7,13-14,16,18-19H,8-12H2,1-3H3
InChIKeyPKOWNOPMXMCQNJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds3

About N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103495167) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103495167
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1N1CCC(C(C)C)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)14-8-10-20(11-9-14)16-12-21-17-7-5-4-6-15(17)18(16)19-3/h4-7,13-14,16,18-19H,8-12H2,1-3H3
InChIKeyPKOWNOPMXMCQNJ-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 66393839
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 65320847
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 79308760
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 103561957
3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 79476936
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82186504
N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524318

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (CID 103495167) is N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccccc2OCC1N1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PKOWNOPMXMCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)14-8-10-20(11-9-14)16-12-21-17-7-5-4-6-15(17)18(16)19-3/h4-7,13-14,16,18-19H,8-12H2,1-3H3.
What are the key properties of N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103495167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).