2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine

C10H21NO — CID 135217007

IUPAC2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine
SMILESCC1COC(CNC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8-5-9(12-7-8)6-11-10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyZPFCFNHZECGKBC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine

2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine (PubChem CID 135217007) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine
PubChem CID135217007
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine
SMILESCC1COC(CNC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8-5-9(12-7-8)6-11-10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyZPFCFNHZECGKBC-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine (CID 135217007) is 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine is CC1COC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine?
The InChIKey is ZPFCFNHZECGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-9(12-7-8)6-11-10(2,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine?
2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 135217007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).