N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine

C12H26N2O — CID 155044704

IUPACN-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine
SMILESCC(C)CN1CC(N(C)COC(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)6-14-7-12(8-14)13(5)9-15-11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyXOZYPWXDQRIWSV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine

N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine (PubChem CID 155044704) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine
PubChem CID155044704
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine
SMILESCC(C)CN1CC(N(C)COC(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)6-14-7-12(8-14)13(5)9-15-11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyXOZYPWXDQRIWSV-UHFFFAOYSA-N
XLogP1.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine (CID 155044704) is N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine is CC(C)CN1CC(N(C)COC(C)C)C1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine?
The InChIKey is XOZYPWXDQRIWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)6-14-7-12(8-14)13(5)9-15-11(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine?
N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidin-3-amine is sourced from PubChem (CID 155044704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).