N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine

C19H29NO — CID 115812445

IUPACN-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)CC1CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-20-17(11-12-18-9-5-13-21-18)14-16-8-4-7-15-6-2-3-10-19(15)16/h2-3,6,10,16-18,20H,4-5,7-9,11-14H2,1H3
InChIKeyQLWRMUWVAVIQSI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.04
Rot. Bonds6

About N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine

N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine (PubChem CID 115812445) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
PubChem CID115812445
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)CC1CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-20-17(11-12-18-9-5-13-21-18)14-16-8-4-7-15-6-2-3-10-19(15)16/h2-3,6,10,16-18,20H,4-5,7-9,11-14H2,1H3
InChIKeyQLWRMUWVAVIQSI-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-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-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 103149325
N-methyl-6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65162668
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964228
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963939
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine (CID 115812445) is N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine is CNC(CCC1CCCO1)CC1CCCc2ccccc21.
What is the InChIKey of N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The InChIKey is QLWRMUWVAVIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-20-17(11-12-18-9-5-13-21-18)14-16-8-4-7-15-6-2-3-10-19(15)16/h2-3,6,10,16-18,20H,4-5,7-9,11-14H2,1H3.
What are the key properties of N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine is sourced from PubChem (CID 115812445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).