N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine

C12H27NO — CID 103033199

IUPACN-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
SMILESCOC(C)(C)CCNCCCC(C)C
InChIInChI=1S/C12H27NO/c1-11(2)7-6-9-13-10-8-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyCXJXJWMMMIVNMA-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine

N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine (PubChem CID 103033199) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
PubChem CID103033199
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
SMILESCOC(C)(C)CCNCCCC(C)C
InChIInChI=1S/C12H27NO/c1-11(2)7-6-9-13-10-8-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyCXJXJWMMMIVNMA-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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

5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103033282
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 103033354
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine (CID 103033199) is N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine is COC(C)(C)CCNCCCC(C)C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine?
The InChIKey is CXJXJWMMMIVNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2)7-6-9-13-10-8-12(3,4)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine?
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 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)-4-methylpentan-1-amine is sourced from PubChem (CID 103033199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).