4-methoxy-N,2,2-trimethylpentan-3-amine

C9H21NO — CID 79617050

IUPAC4-methoxy-N,2,2-trimethylpentan-3-amine
SMILESCNC(C(C)OC)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(11-6)8(10-5)9(2,3)4/h7-8,10H,1-6H3
InChIKeyBIBUSHVFZUBKCD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds3

About 4-methoxy-N,2,2-trimethylpentan-3-amine

4-methoxy-N,2,2-trimethylpentan-3-amine (PubChem CID 79617050) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-methoxy-N,2,2-trimethylpentan-3-amine.

Molecular Properties

Compound Name4-methoxy-N,2,2-trimethylpentan-3-amine
PubChem CID79617050
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-methoxy-N,2,2-trimethylpentan-3-amine
SMILESCNC(C(C)OC)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(11-6)8(10-5)9(2,3)4/h7-8,10H,1-6H3
InChIKeyBIBUSHVFZUBKCD-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
2-methoxy-N,6,6-trimethylheptan-3-amine
CID 79616446
2-methoxy-N,2,4-trimethylhexan-3-amine
CID 79443902
4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid
CID 116959763
(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
CID 89339327
N,2,2-trimethyl-4-propylheptan-3-amine
CID 115854216
6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine
CID 79617778
1,2-dimethoxypropan-1-amine
CID 23227937
2-methoxy-3,4,5-trimethylhexane
CID 123147502
2,2,4-trimethyl-3-(methylamino)pentanoic acid
CID 116953180
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365
(2-methoxy-4-methylpentan-3-yl)hydrazine
CID 105246920

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,2-trimethylpentan-3-amine?
The IUPAC name of 4-methoxy-N,2,2-trimethylpentan-3-amine (CID 79617050) is 4-methoxy-N,2,2-trimethylpentan-3-amine.
What is the SMILES notation for 4-methoxy-N,2,2-trimethylpentan-3-amine?
The canonical SMILES for 4-methoxy-N,2,2-trimethylpentan-3-amine is CNC(C(C)OC)C(C)(C)C.
What is the InChIKey of 4-methoxy-N,2,2-trimethylpentan-3-amine?
The InChIKey is BIBUSHVFZUBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(11-6)8(10-5)9(2,3)4/h7-8,10H,1-6H3.
What are the key properties of 4-methoxy-N,2,2-trimethylpentan-3-amine?
4-methoxy-N,2,2-trimethylpentan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,2-trimethylpentan-3-amine is sourced from PubChem (CID 79617050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).