(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine

C13H29NO2 — CID 135174904

IUPAC(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine
SMILESCC(C)[C@H](C)NCCOCCOC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-11(2)12(3)14-7-8-15-9-10-16-13(4,5)6/h11-12,14H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyYRKYDWNIDUXFAD-LBPRGKRZSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds8

About (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine

(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine (PubChem CID 135174904) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine
PubChem CID135174904
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine
SMILESCC(C)[C@H](C)NCCOCCOC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-11(2)12(3)14-7-8-15-9-10-16-13(4,5)6/h11-12,14H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyYRKYDWNIDUXFAD-LBPRGKRZSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
N-[2-(3,3-dimethylbutoxy)ethyl]-2,5-dimethyl-5-[2-[2-[[(2S)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]hexan-2-amine
CID 174029809
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
CID 146526522
N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
CID 156802607
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propane
CID 122607174

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine?
The IUPAC name of (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine (CID 135174904) is (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine is CC(C)[C@H](C)NCCOCCOC(C)(C)C.
What is the InChIKey of (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine?
The InChIKey is YRKYDWNIDUXFAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(2)12(3)14-7-8-15-9-10-16-13(4,5)6/h11-12,14H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine?
(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 135174904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).