N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine

C11H25NO — CID 115920365

IUPACN-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
SMILESCCC(C)(CC)NC(C)C(C)OC
InChIInChI=1S/C11H25NO/c1-7-11(5,8-2)12-9(3)10(4)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeySGJYFAFYXABHEK-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds6

About N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine

N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine (PubChem CID 115920365) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
PubChem CID115920365
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
SMILESCCC(C)(CC)NC(C)C(C)OC
InChIInChI=1S/C11H25NO/c1-7-11(5,8-2)12-9(3)10(4)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeySGJYFAFYXABHEK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine (CID 115920365) is N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine is CCC(C)(CC)NC(C)C(C)OC.
What is the InChIKey of N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine?
The InChIKey is SGJYFAFYXABHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-7-11(5,8-2)12-9(3)10(4)13-6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine?
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine is sourced from PubChem (CID 115920365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).