4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine

C15H34N2O — CID 170237295

IUPAC4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C)(C)CCOC(C)(C)CCN(C)C
InChIInChI=1S/C15H34N2O/c1-13(2)16-14(3,4)10-12-18-15(5,6)9-11-17(7)8/h13,16H,9-12H2,1-8H3
InChIKeyXNTBVCNYHRKNQT-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds9

About 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine

4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 170237295) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
PubChem CID170237295
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C)(C)CCOC(C)(C)CCN(C)C
InChIInChI=1S/C15H34N2O/c1-13(2)16-14(3,4)10-12-18-15(5,6)9-11-17(7)8/h13,16H,9-12H2,1-8H3
InChIKeyXNTBVCNYHRKNQT-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylbutan-2-yloxy)-2-methyl-N-propan-2-ylbutan-2-amine
CID 170223007
1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine
CID 175628361
N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 153358704
3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[2-ethyl-2,4-dimethyl-4-(propan-2-ylamino)pentyl]-N,2,2-trimethyl-4-[2-methyl-1-[methyl(3-methylbutanoyl)amino]propan-2-yl]oxybutanamide
CID 168959578
2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
CID 176678896
2-N,2,4-trimethyl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 146200447
4-methyl-4-[3-methyl-3-(3-sulfanylpropoxy)butoxy]pentane-1-thiol
CID 87919803
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 63698579
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine (CID 170237295) is 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine is CC(C)NC(C)(C)CCOC(C)(C)CCN(C)C.
What is the InChIKey of 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is XNTBVCNYHRKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-13(2)16-14(3,4)10-12-18-15(5,6)9-11-17(7)8/h13,16H,9-12H2,1-8H3.
What are the key properties of 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine?
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 170237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).