N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine

C15H33NO2 — CID 123893755

IUPACN-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine
SMILESCCC(C)C(C)CCOCCNCCC(C)OC
InChIInChI=1S/C15H33NO2/c1-6-13(2)14(3)8-11-18-12-10-16-9-7-15(4)17-5/h13-16H,6-12H2,1-5H3
InChIKeyVYQARCXRKQDJAP-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.09
Rot. Bonds12

About N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine

N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine (PubChem CID 123893755) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine
PubChem CID123893755
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine
SMILESCCC(C)C(C)CCOCCNCCC(C)OC
InChIInChI=1S/C15H33NO2/c1-6-13(2)14(3)8-11-18-12-10-16-9-7-15(4)17-5/h13-16H,6-12H2,1-5H3
InChIKeyVYQARCXRKQDJAP-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.09
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

Bis[2-(2-ethylhexyloxy)ethyl]amine
CID 4393877
N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
CID 18339631
N-ethyl-2,4,5-trimethyloxolan-3-amine
CID 18339632
2,4,5-trimethyl-N-propan-2-yloxolan-3-amine
CID 57679789
2-methyl-N-(oxan-2-ylmethyl)pentan-1-amine
CID 61609432
4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine
CID 90875916
2-Methyl-6-pentan-3-yl-1,4-oxazepane
CID 91198388
N-ethyl-2,3,4-trimethyloxan-3-amine
CID 123559408
N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 135175178
6,7-Di(propan-2-yl)-1,4-oxazepane
CID 137487101
(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine
CID 138479891
(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine
CID 157178644

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine (CID 123893755) is N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine is CCC(C)C(C)CCOCCNCCC(C)OC.
What is the InChIKey of N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine?
The InChIKey is VYQARCXRKQDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-13(2)14(3)8-11-18-12-10-16-9-7-15(4)17-5/h13-16H,6-12H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine?
N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.09, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylhexoxy)ethyl]-3-methoxybutan-1-amine is sourced from PubChem (CID 123893755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).