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

C9H21NO — CID 79574631

IUPAC1-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(COC)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)6-8(10-4)7-11-5/h8,10H,6-7H2,1-5H3
InChIKeyDBKBMBGVCBZVTQ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds4

About 1-methoxy-N,4,4-trimethylpentan-2-amine

1-methoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 79574631) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-methoxy-N,4,4-trimethylpentan-2-amine
PubChem CID79574631
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(COC)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)6-8(10-4)7-11-5/h8,10H,6-7H2,1-5H3
InChIKeyDBKBMBGVCBZVTQ-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(difluoromethoxy)-N,4-dimethylpentan-2-amine
CID 84718527
1,1,1-trifluoro-N-(1-methoxypropan-2-yl)-4,4-dimethylpentan-2-amine
CID 115976195
1-(2-fluoro-1-methylcyclopropyl)-2-methoxy-N-methylethanamine
CID 131226980
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
(2S)-1-methoxy-3,3-dimethyl-N-propan-2-ylbutan-2-amine
CID 13571319
(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 18649579
(2S)-1-ethoxy-N,4-dimethylpentan-2-amine
CID 18649582
N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 18967778
(2-Methoxyethyl)(4-methylpentan-2-yl)amine
CID 43190116
(1-Methoxypropan-2-yl)(4-methylpentan-2-yl)amine
CID 43191824
N-(2-ethoxyethyl)-4-methylpentan-2-amine
CID 43457182

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-methoxy-N,4,4-trimethylpentan-2-amine (CID 79574631) is 1-methoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-methoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-methoxy-N,4,4-trimethylpentan-2-amine is CNC(COC)CC(C)(C)C.
What is the InChIKey of 1-methoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is DBKBMBGVCBZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)6-8(10-4)7-11-5/h8,10H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-N,4,4-trimethylpentan-2-amine?
1-methoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 79574631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).