1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine

C9H21NO — CID 22975529

IUPAC1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine
SMILESCCC(COC)N(C)C(C)C
InChIInChI=1S/C9H21NO/c1-6-9(7-11-5)10(4)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyHVBDIRCLGKVLNI-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds5

About 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine

1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 22975529) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine
PubChem CID22975529
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine
SMILESCCC(COC)N(C)C(C)C
InChIInChI=1S/C9H21NO/c1-6-9(7-11-5)10(4)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyHVBDIRCLGKVLNI-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
CID 177367561
ethane;1-methoxy-N-methyl-N-(phosphanylmethyl)butan-2-amine
CID 177367560
3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
CID 61451674
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
3-methoxy-2-N-(1-methoxypropan-2-yl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225975
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225710
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
N-(2-chloro-3-methoxypropyl)-N,2-dimethylbutan-1-amine
CID 63387954

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine (CID 22975529) is 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine is CCC(COC)N(C)C(C)C.
What is the InChIKey of 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is HVBDIRCLGKVLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-9(7-11-5)10(4)8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine?
1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 22975529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).