N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine

C13H29NO2 — CID 43206916

IUPACN-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
SMILESCOCCOCCCNC(C)CCC(C)C
InChIInChI=1S/C13H29NO2/c1-12(2)6-7-13(3)14-8-5-9-16-11-10-15-4/h12-14H,5-11H2,1-4H3
InChIKeySOPKHUBDZNKQMJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds11

About N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine

N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine (PubChem CID 43206916) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
PubChem CID43206916
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
SMILESCOCCOCCCNC(C)CCC(C)C
InChIInChI=1S/C13H29NO2/c1-12(2)6-7-13(3)14-8-5-9-16-11-10-15-4/h12-14H,5-11H2,1-4H3
InChIKeySOPKHUBDZNKQMJ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
4-bromo-N-[3-(2-methoxyethoxy)propyl]pentan-2-amine
CID 103413145
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111204562
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine (CID 43206916) is N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine is COCCOCCCNC(C)CCC(C)C.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine?
The InChIKey is SOPKHUBDZNKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2)6-7-13(3)14-8-5-9-16-11-10-15-4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine?
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43206916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).