2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine

C15H31NO — CID 139968839

IUPAC2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine
SMILESCCN(CC)CC(COC)(CC(C)C)C1CC1
InChIInChI=1S/C15H31NO/c1-6-16(7-2)11-15(12-17-5,10-13(3)4)14-8-9-14/h13-14H,6-12H2,1-5H3
InChIKeyMLVVUDXJBPWXKD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.42
Rot. Bonds9

About 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine

2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine (PubChem CID 139968839) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine
PubChem CID139968839
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine
SMILESCCN(CC)CC(COC)(CC(C)C)C1CC1
InChIInChI=1S/C15H31NO/c1-6-16(7-2)11-15(12-17-5,10-13(3)4)14-8-9-14/h13-14H,6-12H2,1-5H3
InChIKeyMLVVUDXJBPWXKD-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine (CID 139968839) is 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine is CCN(CC)CC(COC)(CC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine?
The InChIKey is MLVVUDXJBPWXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-16(7-2)11-15(12-17-5,10-13(3)4)14-8-9-14/h13-14H,6-12H2,1-5H3.
What are the key properties of 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine?
2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N-diethyl-2-(methoxymethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 139968839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).