3,3-dimethoxy-N-propan-2-ylbutan-2-amine

C9H21NO2 — CID 12809167

IUPAC3,3-dimethoxy-N-propan-2-ylbutan-2-amine
SMILESCOC(C)(OC)C(C)NC(C)C
InChIInChI=1S/C9H21NO2/c1-7(2)10-8(3)9(4,11-5)12-6/h7-8,10H,1-6H3
InChIKeyZABMEGFQLDTXST-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.38
Rot. Bonds5

About 3,3-dimethoxy-N-propan-2-ylbutan-2-amine

3,3-dimethoxy-N-propan-2-ylbutan-2-amine (PubChem CID 12809167) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3,3-dimethoxy-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethoxy-N-propan-2-ylbutan-2-amine
PubChem CID12809167
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3,3-dimethoxy-N-propan-2-ylbutan-2-amine
SMILESCOC(C)(OC)C(C)NC(C)C
InChIInChI=1S/C9H21NO2/c1-7(2)10-8(3)9(4,11-5)12-6/h7-8,10H,1-6H3
InChIKeyZABMEGFQLDTXST-UHFFFAOYSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3,4,4-trimethyl-2-N-propan-2-ylpentane-2,3-diamine
CID 163824497
CID 87569665
CID 87569665
1,3,3-trimethoxy-2-methylbutane
CID 140983867
4,4-dimethoxy-3-methylpentan-2-one
CID 90464401
3,3-dimethyl-N-propan-2-ylnonan-2-amine
CID 155353208
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
lithium;azanide;N-propan-2-ylpropan-2-amine
CID 172803690
1,3-dimethoxy-N-propan-2-ylpropan-2-amine
CID 134479894
1,2,4,4-tetramethoxy-2,3-dimethylpentane
CID 90464397
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
(3-methoxy-2-methylbutan-2-yl)silane
CID 173235836

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-N-propan-2-ylbutan-2-amine?
The IUPAC name of 3,3-dimethoxy-N-propan-2-ylbutan-2-amine (CID 12809167) is 3,3-dimethoxy-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 3,3-dimethoxy-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 3,3-dimethoxy-N-propan-2-ylbutan-2-amine is COC(C)(OC)C(C)NC(C)C.
What is the InChIKey of 3,3-dimethoxy-N-propan-2-ylbutan-2-amine?
The InChIKey is ZABMEGFQLDTXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-7(2)10-8(3)9(4,11-5)12-6/h7-8,10H,1-6H3.
What are the key properties of 3,3-dimethoxy-N-propan-2-ylbutan-2-amine?
3,3-dimethoxy-N-propan-2-ylbutan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 12809167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).