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

C11H23NO — CID 62913992

IUPAC4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine
SMILESCC(C)C(CC1CCCO1)C(C)N
InChIInChI=1S/C11H23NO/c1-8(2)11(9(3)12)7-10-5-4-6-13-10/h8-11H,4-7,12H2,1-3H3
InChIKeyDQFDWXUHUNCEKH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.17
Rot. Bonds4

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

4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine (PubChem CID 62913992) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine
PubChem CID62913992
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine
SMILESCC(C)C(CC1CCCO1)C(C)N
InChIInChI=1S/C11H23NO/c1-8(2)11(9(3)12)7-10-5-4-6-13-10/h8-11H,4-7,12H2,1-3H3
InChIKeyDQFDWXUHUNCEKH-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine (CID 62913992) is 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine is CC(C)C(CC1CCCO1)C(C)N.
What is the InChIKey of 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
The InChIKey is DQFDWXUHUNCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)11(9(3)12)7-10-5-4-6-13-10/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(oxolan-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 62913992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).