N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine

C18H39NO2 — CID 170062056

IUPACN,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
SMILESCCCC(C)CN(C)CCOCCOCCCC(C)CC
InChIInChI=1S/C18H39NO2/c1-6-9-18(4)16-19(5)11-13-21-15-14-20-12-8-10-17(3)7-2/h17-18H,6-16H2,1-5H3
InChIKeyJCAHWUIOIJDOEY-UHFFFAOYSA-N
MW301.51 g/mol
LogP4.21
Rot. Bonds15

About N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine

N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine (PubChem CID 170062056) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
PubChem CID170062056
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC NameN,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
SMILESCCCC(C)CN(C)CCOCCOCCCC(C)CC
InChIInChI=1S/C18H39NO2/c1-6-9-18(4)16-19(5)11-13-21-15-14-20-12-8-10-17(3)7-2/h17-18H,6-16H2,1-5H3
InChIKeyJCAHWUIOIJDOEY-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
2-[2-[methyl(2-methylbutyl)amino]ethoxy]ethanol
CID 61070692
N-(2-ethoxyethyl)-N,2-dimethylpentane-1,5-diamine
CID 104682346
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164
N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 62559268
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
1-dodecoxydodecane;3-methylheptane
CID 174412934
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
N-[3-[methyl(2-methylpentyl)amino]propyl]formamide
CID 123854882
N-methyl-2-(4-methylhexoxy)ethanamine
CID 138736664

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine (CID 170062056) is N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine is CCCC(C)CN(C)CCOCCOCCCC(C)CC.
What is the InChIKey of N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine?
The InChIKey is JCAHWUIOIJDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-6-9-18(4)16-19(5)11-13-21-15-14-20-12-8-10-17(3)7-2/h17-18H,6-16H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine?
N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine has a molecular weight of 301.51 g/mol, XLogP of 4.21, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine is sourced from PubChem (CID 170062056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).