(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine

C11H25NO — CID 101182979

IUPAC(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
SMILESCC(C)N[C@H](COC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-8(2)11(12-9(3)4)7-13-10(5)6/h8-12H,7H2,1-6H3/t11-/m1/s1
InChIKeyDAHDXRGRPHKIBC-LLVKDONJSA-N
MW187.33 g/mol
LogP2.43
Rot. Bonds6

About (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine

(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine (PubChem CID 101182979) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
PubChem CID101182979
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
SMILESCC(C)N[C@H](COC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-8(2)11(12-9(3)4)7-13-10(5)6/h8-12H,7H2,1-6H3/t11-/m1/s1
InChIKeyDAHDXRGRPHKIBC-LLVKDONJSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
1-methoxy-N-propan-2-yl-3-propan-2-yloxypropan-2-amine
CID 176738285
N-[3-methyl-2-(propan-2-ylamino)butyl]formamide
CID 170704985
(3-methoxy-4,4-dimethyl-1-propan-2-yloxypentan-2-yl)hydrazine
CID 105273581
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009
3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
CID 116721716
(1-propan-2-yloxy-3-propylhexan-2-yl)hydrazine
CID 105323683
N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
CID 115719163
(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
CID 54557324
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine?
The IUPAC name of (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine (CID 101182979) is (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine is CC(C)N[C@H](COC(C)C)C(C)C.
What is the InChIKey of (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine?
The InChIKey is DAHDXRGRPHKIBC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25NO/c1-8(2)11(12-9(3)4)7-13-10(5)6/h8-12H,7H2,1-6H3/t11-/m1/s1.
What are the key properties of (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine?
(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 101182979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).