2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C16H26N2O — CID 115418965

IUPAC2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCOCC(C)N(C)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C16H26N2O/c1-11-9-15(18(3)12(2)10-19-4)16(17)14-8-6-5-7-13(11)14/h5-8,11-12,15-16H,9-10,17H2,1-4H3
InChIKeyYXNRKEGZQPJSDM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds4

About 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 115418965) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID115418965
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCOCC(C)N(C)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C16H26N2O/c1-11-9-15(18(3)12(2)10-19-4)16(17)14-8-6-5-7-13(11)14/h5-8,11-12,15-16H,9-10,17H2,1-4H3
InChIKeyYXNRKEGZQPJSDM-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyethyl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418942
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418967
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethylcyclohexane-1,2-diamine
CID 61453513
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420046
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418947
2-N,4-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418953
2-(1-methoxypropan-2-yloxy)-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419271
2-[2-(3-methoxypropoxy)ethoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103177106
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
2-[ethyl(methyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419992
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211
2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420305

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 115418965) is 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is COCC(C)N(C)C1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is YXNRKEGZQPJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-9-15(18(3)12(2)10-19-4)16(17)14-8-6-5-7-13(11)14/h5-8,11-12,15-16H,9-10,17H2,1-4H3.
What are the key properties of 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 115418965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).