2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine

C9H19NO — CID 166557187

IUPAC2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(C)CCO1
InChIInChI=1S/C9H19NO/c1-8(2)6-10-7-9(3)4-5-11-9/h8,10H,4-7H2,1-3H3
InChIKeyLZFOCYCYINXUDC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine

2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine (PubChem CID 166557187) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
PubChem CID166557187
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(C)CCO1
InChIInChI=1S/C9H19NO/c1-8(2)6-10-7-9(3)4-5-11-9/h8,10H,4-7H2,1-3H3
InChIKeyLZFOCYCYINXUDC-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-[(2-methyloxetan-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine (CID 166557187) is 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine is CC(C)CNCC1(C)CCO1.
What is the InChIKey of 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine?
The InChIKey is LZFOCYCYINXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-10-7-9(3)4-5-11-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine?
2-methyl-N-[(2-methyloxetan-2-yl)methyl]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-[(2-methyloxetan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 166557187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).