(2S)-N-methyl-2-propan-2-yloxypropan-1-amine

C7H17NO — CID 94405357

IUPAC(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
SMILESCNC[C@H](C)OC(C)C
InChIInChI=1S/C7H17NO/c1-6(2)9-7(3)5-8-4/h6-8H,5H2,1-4H3/t7-/m0/s1
InChIKeyMOCDQDOILABFOY-ZETCQYMHSA-N
MW131.22 g/mol
LogP1.02
Rot. Bonds4

About (2S)-N-methyl-2-propan-2-yloxypropan-1-amine

(2S)-N-methyl-2-propan-2-yloxypropan-1-amine (PubChem CID 94405357) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-N-methyl-2-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
PubChem CID94405357
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
SMILESCNC[C@H](C)OC(C)C
InChIInChI=1S/C7H17NO/c1-6(2)9-7(3)5-8-4/h6-8H,5H2,1-4H3/t7-/m0/s1
InChIKeyMOCDQDOILABFOY-ZETCQYMHSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethylmorpholine
CID 110862
2,6-Dimethylmorpholine, cis-
CID 641500
2-Ethoxy-N-methylethanamine
CID 18324766
2-Methylmorpholine
CID 410615
(2R)-2-methylmorpholine
CID 641497
2,6-Dimethylmorpholine, (2R,6R)-
CID 11137133
2-Ethylmorpholine
CID 14933206
(2S)-2-Methylmorpholine
CID 36689624
3-Isopropoxy-Azetidine
CID 51358586
trans-2,6-Dimethylmorpholine
CID 641501
2-Methylmorpholine--hydrogen chloride (1/1)
CID 22605557
Butyl(2-methoxyethyl)amine
CID 3529507

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-propan-2-yloxypropan-1-amine?
The IUPAC name of (2S)-N-methyl-2-propan-2-yloxypropan-1-amine (CID 94405357) is (2S)-N-methyl-2-propan-2-yloxypropan-1-amine.
What is the SMILES notation for (2S)-N-methyl-2-propan-2-yloxypropan-1-amine?
The canonical SMILES for (2S)-N-methyl-2-propan-2-yloxypropan-1-amine is CNC[C@H](C)OC(C)C.
What is the InChIKey of (2S)-N-methyl-2-propan-2-yloxypropan-1-amine?
The InChIKey is MOCDQDOILABFOY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)9-7(3)5-8-4/h6-8H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-N-methyl-2-propan-2-yloxypropan-1-amine?
(2S)-N-methyl-2-propan-2-yloxypropan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 94405357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).