2,4-dimethyl-N-propan-2-yloxolan-3-amine

C9H19NO — CID 59729878

IUPAC2,4-dimethyl-N-propan-2-yloxolan-3-amine
SMILESCC(C)NC1C(C)COC1C
InChIInChI=1S/C9H19NO/c1-6(2)10-9-7(3)5-11-8(9)4/h6-10H,5H2,1-4H3
InChIKeyRVSHKNSDHAKNTH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds2

About 2,4-dimethyl-N-propan-2-yloxolan-3-amine

2,4-dimethyl-N-propan-2-yloxolan-3-amine (PubChem CID 59729878) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,4-dimethyl-N-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-propan-2-yloxolan-3-amine
PubChem CID59729878
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,4-dimethyl-N-propan-2-yloxolan-3-amine
SMILESCC(C)NC1C(C)COC1C
InChIInChI=1S/C9H19NO/c1-6(2)10-9-7(3)5-11-8(9)4/h6-10H,5H2,1-4H3
InChIKeyRVSHKNSDHAKNTH-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-propan-2-yloxolan-3-amine?
The IUPAC name of 2,4-dimethyl-N-propan-2-yloxolan-3-amine (CID 59729878) is 2,4-dimethyl-N-propan-2-yloxolan-3-amine.
What is the SMILES notation for 2,4-dimethyl-N-propan-2-yloxolan-3-amine?
The canonical SMILES for 2,4-dimethyl-N-propan-2-yloxolan-3-amine is CC(C)NC1C(C)COC1C.
What is the InChIKey of 2,4-dimethyl-N-propan-2-yloxolan-3-amine?
The InChIKey is RVSHKNSDHAKNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)10-9-7(3)5-11-8(9)4/h6-10H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-propan-2-yloxolan-3-amine?
2,4-dimethyl-N-propan-2-yloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-propan-2-yloxolan-3-amine is sourced from PubChem (CID 59729878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).