N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine

C12H27NO — CID 103033138

IUPACN-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine
SMILESCOC(C)(C)CCNC(C)CC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)9-11(3)13-8-7-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyKLJUXAHJQBQEAX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds7

About N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine

N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine (PubChem CID 103033138) 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-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine
PubChem CID103033138
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine
SMILESCOC(C)(C)CCNC(C)CC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)9-11(3)13-8-7-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyKLJUXAHJQBQEAX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine (CID 103033138) is N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine is COC(C)(C)CCNC(C)CC(C)C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine?
The InChIKey is KLJUXAHJQBQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)9-11(3)13-8-7-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine?
N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 7 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-2-amine is sourced from PubChem (CID 103033138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).