N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine

C13H29NO — CID 115712795

IUPACN-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(10-13(5,6)15-7)14-9-8-12(2,3)4/h11,14H,8-10H2,1-7H3
InChIKeyPCKTWWFHVQMKOE-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds6

About N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine

N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 115712795) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID115712795
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(10-13(5,6)15-7)14-9-8-12(2,3)4/h11,14H,8-10H2,1-7H3
InChIKeyPCKTWWFHVQMKOE-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
CID 103037206
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide
CID 102676267

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine (CID 115712795) is N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is PCKTWWFHVQMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(10-13(5,6)15-7)14-9-8-12(2,3)4/h11,14H,8-10H2,1-7H3.
What are the key properties of N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine?
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 115712795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).