N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine

C8H17NO — CID 58519664

IUPACN-methyl-N-(oxetan-3-ylmethyl)propan-2-amine
SMILESCC(C)N(C)CC1COC1
InChIInChI=1S/C8H17NO/c1-7(2)9(3)4-8-5-10-6-8/h7-8H,4-6H2,1-3H3
InChIKeyVUMKEDNDKJOZBB-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.97
Rot. Bonds3

About N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine

N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine (PubChem CID 58519664) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxetan-3-ylmethyl)propan-2-amine
PubChem CID58519664
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-N-(oxetan-3-ylmethyl)propan-2-amine
SMILESCC(C)N(C)CC1COC1
InChIInChI=1S/C8H17NO/c1-7(2)9(3)4-8-5-10-6-8/h7-8H,4-6H2,1-3H3
InChIKeyVUMKEDNDKJOZBB-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine?
The IUPAC name of N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine (CID 58519664) is N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine is CC(C)N(C)CC1COC1.
What is the InChIKey of N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine?
The InChIKey is VUMKEDNDKJOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9(3)4-8-5-10-6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine?
N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 58519664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).