N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine

C15H33NO — CID 103033452

IUPACN-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCCC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-7-8-9-10-14(2,3)13-16-12-11-15(4,5)17-6/h16H,7-13H2,1-6H3
InChIKeyUAFVBTBFOIUUSF-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds10

About N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine

N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine (PubChem CID 103033452) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
PubChem CID103033452
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCCC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-7-8-9-10-14(2,3)13-16-12-11-15(4,5)17-6/h16H,7-13H2,1-6H3
InChIKeyUAFVBTBFOIUUSF-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine
CID 103025253
3-methoxy-3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butan-1-amine
CID 103033445
N-(3-methoxy-3-methylbutyl)-5-methylhexan-1-amine
CID 103033507
2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
CID 103036797
4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptan-1-amine
CID 89001623
2,2,4,4-tetramethyl-N'-[3-methyl-3-(3-methylbutoxy)butyl]heptane-1,7-diamine
CID 89001624
N-tert-butyl-4,4-dimethylpentan-1-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane
CID 158024279
N-(3-methoxypentyl)-4,4-dimethylpentan-1-amine
CID 163898655
6,6-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]heptan-1-amine
CID 164817613
N-(3-methoxypropyl)-2,2,4,4-tetramethylhexan-1-amine
CID 167228340
N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine
CID 167268905
N-(4-methoxy-4-methylpentan-2-yl)-6-methylheptan-2-amine
CID 43147181

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine (CID 103033452) is N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine is CCCCCC(C)(C)CNCCC(C)(C)OC.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine?
The InChIKey is UAFVBTBFOIUUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-8-9-10-14(2,3)13-16-12-11-15(4,5)17-6/h16H,7-13H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine?
N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine is sourced from PubChem (CID 103033452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).