2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

C9H19NO — CID 14326291

IUPAC2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCCO1
InChIInChI=1S/C9H19NO/c1-8(2)6-10-7-9-4-3-5-11-9/h8-10H,3-7H2,1-2H3
InChIKeyVNASWUJGMIFXPQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 14326291) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID14326291
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCCO1
InChIInChI=1S/C9H19NO/c1-8(2)6-10-7-9-4-3-5-11-9/h8-10H,3-7H2,1-2H3
InChIKeyVNASWUJGMIFXPQ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 14326291) is 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is CC(C)CNCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is VNASWUJGMIFXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-10-7-9-4-3-5-11-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 14326291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).