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

C10H21NO — CID 64715305

IUPAC4-methyl-4-(oxolan-3-yl)pentan-2-amine
SMILESCC(N)CC(C)(C)C1CCOC1
InChIInChI=1S/C10H21NO/c1-8(11)6-10(2,3)9-4-5-12-7-9/h8-9H,4-7,11H2,1-3H3
InChIKeyPYOHQYYISZDULH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.79
Rot. Bonds3

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

4-methyl-4-(oxolan-3-yl)pentan-2-amine (PubChem CID 64715305) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-4-(oxolan-3-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-(oxolan-3-yl)pentan-2-amine
PubChem CID64715305
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-4-(oxolan-3-yl)pentan-2-amine
SMILESCC(N)CC(C)(C)C1CCOC1
InChIInChI=1S/C10H21NO/c1-8(11)6-10(2,3)9-4-5-12-7-9/h8-9H,4-7,11H2,1-3H3
InChIKeyPYOHQYYISZDULH-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(oxolan-3-yl)pentan-2-amine?
The IUPAC name of 4-methyl-4-(oxolan-3-yl)pentan-2-amine (CID 64715305) is 4-methyl-4-(oxolan-3-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-4-(oxolan-3-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-4-(oxolan-3-yl)pentan-2-amine is CC(N)CC(C)(C)C1CCOC1.
What is the InChIKey of 4-methyl-4-(oxolan-3-yl)pentan-2-amine?
The InChIKey is PYOHQYYISZDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(11)6-10(2,3)9-4-5-12-7-9/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 4-methyl-4-(oxolan-3-yl)pentan-2-amine?
4-methyl-4-(oxolan-3-yl)pentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(oxolan-3-yl)pentan-2-amine is sourced from PubChem (CID 64715305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).