N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine

C14H31NO — CID 139968888

IUPACN-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
SMILESCCNCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-7-15-10-14(11-16-6,8-12(2)3)9-13(4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyKGFXMHTZVIKXJT-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.32
Rot. Bonds9

About N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine

N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine (PubChem CID 139968888) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
PubChem CID139968888
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
SMILESCCNCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C14H31NO/c1-7-15-10-14(11-16-6,8-12(2)3)9-13(4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyKGFXMHTZVIKXJT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine (CID 139968888) is N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine is CCNCC(COC)(CC(C)C)CC(C)C.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is KGFXMHTZVIKXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-15-10-14(11-16-6,8-12(2)3)9-13(4)5/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 139968888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).