2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine

C14H31NO — CID 139968948

IUPAC2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine
SMILESCOCC(CC(C)C)(CN(C)C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-12(2)9-14(11-16-8,10-15(6)7)13(3,4)5/h12H,9-11H2,1-8H3
InChIKeyBJRRUSIXOZHVSW-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.27
Rot. Bonds6

About 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine

2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine (PubChem CID 139968948) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine
PubChem CID139968948
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine
SMILESCOCC(CC(C)C)(CN(C)C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-12(2)9-14(11-16-8,10-15(6)7)13(3,4)5/h12H,9-11H2,1-8H3
InChIKeyBJRRUSIXOZHVSW-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
CID 139652115
2-cyclopentyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
CID 139968924
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-ylpentan-1-amine
CID 139968966
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
CID 139968885
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
N,N,2,2-tetramethyl-3-propan-2-yloxypropan-1-amine
CID 58303667
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985334
4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
CID 89276532
2-(methoxymethyl)-N,N-dimethyl-2-propylpentan-1-amine
CID 71361648
2-methoxy-N,N,2-trimethylbutan-1-amine
CID 177005868
1-methoxy-N-(1-methoxy-2-methylpropan-2-yl)-N,2-dimethylpropan-2-amine
CID 169191834

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine?
The IUPAC name of 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine (CID 139968948) is 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine is COCC(CC(C)C)(CN(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine?
The InChIKey is BJRRUSIXOZHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)9-14(11-16-8,10-15(6)7)13(3,4)5/h12H,9-11H2,1-8H3.
What are the key properties of 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine?
2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 139968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).