4-methyl-1-(oxolan-3-yl)pentan-1-amine

C10H21NO — CID 63563617

IUPAC4-methyl-1-(oxolan-3-yl)pentan-1-amine
SMILESCC(C)CCC(N)C1CCOC1
InChIInChI=1S/C10H21NO/c1-8(2)3-4-10(11)9-5-6-12-7-9/h8-10H,3-7,11H2,1-2H3
InChIKeyCXHGIIIOHFNYEK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.79
Rot. Bonds4

About 4-methyl-1-(oxolan-3-yl)pentan-1-amine

4-methyl-1-(oxolan-3-yl)pentan-1-amine (PubChem CID 63563617) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-yl)pentan-1-amine
PubChem CID63563617
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-1-(oxolan-3-yl)pentan-1-amine
SMILESCC(C)CCC(N)C1CCOC1
InChIInChI=1S/C10H21NO/c1-8(2)3-4-10(11)9-5-6-12-7-9/h8-10H,3-7,11H2,1-2H3
InChIKeyCXHGIIIOHFNYEK-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-1-(oxolan-3-yl)pentan-1-amine?
The IUPAC name of 4-methyl-1-(oxolan-3-yl)pentan-1-amine (CID 63563617) is 4-methyl-1-(oxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-3-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-1-(oxolan-3-yl)pentan-1-amine is CC(C)CCC(N)C1CCOC1.
What is the InChIKey of 4-methyl-1-(oxolan-3-yl)pentan-1-amine?
The InChIKey is CXHGIIIOHFNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)3-4-10(11)9-5-6-12-7-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-3-yl)pentan-1-amine?
4-methyl-1-(oxolan-3-yl)pentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 63563617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).