2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C17H26N2O — CID 115418947

IUPAC2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCC1CC(N(C)CC2CCCO2)C(N)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-12-10-16(19(2)11-13-6-5-9-20-13)17(18)15-8-4-3-7-14(12)15/h3-4,7-8,12-13,16-17H,5-6,9-11,18H2,1-2H3
InChIKeySZFBAWRSPQMUQR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.67
Rot. Bonds3

About 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 115418947) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID115418947
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCC1CC(N(C)CC2CCCO2)C(N)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-12-10-16(19(2)11-13-6-5-9-20-13)17(18)15-8-4-3-7-14(12)15/h3-4,7-8,12-13,16-17H,5-6,9-11,18H2,1-2H3
InChIKeySZFBAWRSPQMUQR-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine 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

3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420032
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
N,4-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 81459927
1-(aminomethyl)-N,4-dimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115418640
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
2-N,4-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418953
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81297954

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 115418947) is 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CC1CC(N(C)CC2CCCO2)C(N)c2ccccc21.
What is the InChIKey of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is SZFBAWRSPQMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-10-16(19(2)11-13-6-5-9-20-13)17(18)15-8-4-3-7-14(12)15/h3-4,7-8,12-13,16-17H,5-6,9-11,18H2,1-2H3.
What are the key properties of 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 115418947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).