2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine

C15H34N2O — CID 166970241

IUPAC2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine
SMILESCC(C)NC(C)(C)CCCC(C)NOC(C)(C)C
InChIInChI=1S/C15H34N2O/c1-12(2)16-15(7,8)11-9-10-13(3)17-18-14(4,5)6/h12-13,16-17H,9-11H2,1-8H3
InChIKeyNWPLMUAGUVBJFK-UHFFFAOYSA-N
MW258.45 g/mol
LogP3.64
Rot. Bonds8

About 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine

2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine (PubChem CID 166970241) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine
PubChem CID166970241
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine
SMILESCC(C)NC(C)(C)CCCC(C)NOC(C)(C)C
InChIInChI=1S/C15H34N2O/c1-12(2)16-15(7,8)11-9-10-13(3)17-18-14(4,5)6/h12-13,16-17H,9-11H2,1-8H3
InChIKeyNWPLMUAGUVBJFK-UHFFFAOYSA-N
XLogP3.64
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethylbutan-2-yloxy)-2-methyl-N-propan-2-ylbutan-2-amine
CID 170223007
(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
CID 166938089
N-tert-butyl-2-[5-methyl-5-(propan-2-ylamino)hexan-2-yl]oxyacetamide
CID 167107053
3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 82720828
N-(2,6-dimethylheptan-2-yl)hydroxylamine
CID 138599633
5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
CID 19708159
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
CID 170237295
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
1-(1-fluoroethoxy)-2-methyl-N-propan-2-ylpropan-2-amine
CID 158734827
3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol
CID 175063250
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
N-(4-methoxybutan-2-yl)-2-methylpentan-2-amine
CID 115920019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine?
The IUPAC name of 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine (CID 166970241) is 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine.
What is the SMILES notation for 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine?
The canonical SMILES for 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine is CC(C)NC(C)(C)CCCC(C)NOC(C)(C)C.
What is the InChIKey of 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine?
The InChIKey is NWPLMUAGUVBJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-12(2)16-15(7,8)11-9-10-13(3)17-18-14(4,5)6/h12-13,16-17H,9-11H2,1-8H3.
What are the key properties of 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine?
2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine has a molecular weight of 258.45 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine is sourced from PubChem (CID 166970241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).