N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C10H23NO — CID 14548298

IUPACN-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCN(CC(C)C)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)6-11(8-12-5)7-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyRBHQPPDSDAEIJQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.20
Rot. Bonds6

About N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 14548298) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID14548298
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCN(CC(C)C)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)6-11(8-12-5)7-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyRBHQPPDSDAEIJQ-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 14548298) is N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is COCN(CC(C)C)CC(C)C.
What is the InChIKey of N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is RBHQPPDSDAEIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)6-11(8-12-5)7-10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 14548298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).