3-methyl-4-(oxolan-2-yl)butan-2-amine

C9H19NO — CID 62549810

IUPAC3-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCC(N)C(C)CC1CCCO1
InChIInChI=1S/C9H19NO/c1-7(8(2)10)6-9-4-3-5-11-9/h7-9H,3-6,10H2,1-2H3
InChIKeyWCPOCJFZTVMGJL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-4-(oxolan-2-yl)butan-2-amine

3-methyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 62549810) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID62549810
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCC(N)C(C)CC1CCCO1
InChIInChI=1S/C9H19NO/c1-7(8(2)10)6-9-4-3-5-11-9/h7-9H,3-6,10H2,1-2H3
InChIKeyWCPOCJFZTVMGJL-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-4-(oxolan-2-yl)butan-2-amine (CID 62549810) is 3-methyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-4-(oxolan-2-yl)butan-2-amine is CC(N)C(C)CC1CCCO1.
What is the InChIKey of 3-methyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is WCPOCJFZTVMGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(8(2)10)6-9-4-3-5-11-9/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-methyl-4-(oxolan-2-yl)butan-2-amine?
3-methyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 62549810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).