3-methyl-3-(3-methylpentoxy)butan-1-amine

C11H25NO — CID 89007846

IUPAC3-methyl-3-(3-methylpentoxy)butan-1-amine
SMILESCCC(C)CCOC(C)(C)CCN
InChIInChI=1S/C11H25NO/c1-5-10(2)6-9-13-11(3,4)7-8-12/h10H,5-9,12H2,1-4H3
InChIKeyKKAYIHJIOBKUDS-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds7

About 3-methyl-3-(3-methylpentoxy)butan-1-amine

3-methyl-3-(3-methylpentoxy)butan-1-amine (PubChem CID 89007846) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methyl-3-(3-methylpentoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methylpentoxy)butan-1-amine
PubChem CID89007846
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methyl-3-(3-methylpentoxy)butan-1-amine
SMILESCCC(C)CCOC(C)(C)CCN
InChIInChI=1S/C11H25NO/c1-5-10(2)6-9-13-11(3,4)7-8-12/h10H,5-9,12H2,1-4H3
InChIKeyKKAYIHJIOBKUDS-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylpentoxy)butan-1-amine?
The IUPAC name of 3-methyl-3-(3-methylpentoxy)butan-1-amine (CID 89007846) is 3-methyl-3-(3-methylpentoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methylpentoxy)butan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methylpentoxy)butan-1-amine is CCC(C)CCOC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(3-methylpentoxy)butan-1-amine?
The InChIKey is KKAYIHJIOBKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-10(2)6-9-13-11(3,4)7-8-12/h10H,5-9,12H2,1-4H3.
What are the key properties of 3-methyl-3-(3-methylpentoxy)butan-1-amine?
3-methyl-3-(3-methylpentoxy)butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylpentoxy)butan-1-amine is sourced from PubChem (CID 89007846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).