N-methyl-2-(4-methylhexoxy)ethanamine

C10H23NO — CID 138736664

IUPACN-methyl-2-(4-methylhexoxy)ethanamine
SMILESCCC(C)CCCOCCNC
InChIInChI=1S/C10H23NO/c1-4-10(2)6-5-8-12-9-7-11-3/h10-11H,4-9H2,1-3H3
InChIKeyMVRFCYNXTQDGQM-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds8

About N-methyl-2-(4-methylhexoxy)ethanamine

N-methyl-2-(4-methylhexoxy)ethanamine (PubChem CID 138736664) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-methyl-2-(4-methylhexoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylhexoxy)ethanamine
PubChem CID138736664
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-methyl-2-(4-methylhexoxy)ethanamine
SMILESCCC(C)CCCOCCNC
InChIInChI=1S/C10H23NO/c1-4-10(2)6-5-8-12-9-7-11-3/h10-11H,4-9H2,1-3H3
InChIKeyMVRFCYNXTQDGQM-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
1-dodecoxydodecane;3-methylheptane
CID 174412934
N,3-dimethylpentan-1-amine;ethane
CID 142089517
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
2-(7-methylnonoxy)ethanamine
CID 90169866

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylhexoxy)ethanamine?
The IUPAC name of N-methyl-2-(4-methylhexoxy)ethanamine (CID 138736664) is N-methyl-2-(4-methylhexoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylhexoxy)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylhexoxy)ethanamine is CCC(C)CCCOCCNC.
What is the InChIKey of N-methyl-2-(4-methylhexoxy)ethanamine?
The InChIKey is MVRFCYNXTQDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(2)6-5-8-12-9-7-11-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylhexoxy)ethanamine?
N-methyl-2-(4-methylhexoxy)ethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylhexoxy)ethanamine is sourced from PubChem (CID 138736664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).