N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine

C19H41NO — CID 122492388

IUPACN-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine
SMILESCCCCCC(CC)N(CCOC)CC(CC)CCCC
InChIInChI=1S/C19H41NO/c1-6-10-12-14-19(9-4)20(15-16-21-5)17-18(8-3)13-11-7-2/h18-19H,6-17H2,1-5H3
InChIKeyXVZGTVNGFLREHF-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.51
Rot. Bonds15

About N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine

N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine (PubChem CID 122492388) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine
PubChem CID122492388
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC NameN-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine
SMILESCCCCCC(CC)N(CCOC)CC(CC)CCCC
InChIInChI=1S/C19H41NO/c1-6-10-12-14-19(9-4)20(15-16-21-5)17-18(8-3)13-11-7-2/h18-19H,6-17H2,1-5H3
InChIKeyXVZGTVNGFLREHF-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 85957220
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CID 20758268
4-(2,5,8-Trimethylnonyl)morpholine
CID 53972003
4-(4-Hexyldecyl)morpholine
CID 54115808
N-(cyclohexylmethyl)-2-methoxy-N-methylethanamine
CID 56687384
N,N-diethyl-N'-(3-ethylpentyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 59123484
N,N',3,6-tetraethyl-N-(2-methoxyethyl)-N'-methyloctane-1,8-diamine
CID 59123489
4-(2,6-Dimethyldodecyl)morpholine
CID 67629669
4-(5-Methylheptan-3-yl)morpholine
CID 68015281
4-(2-Ethylundecyl)morpholine
CID 70142865
3-Butyl-1-(2-methoxyethyl)piperidine
CID 89119976
(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine
CID 89119977

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine?
The IUPAC name of N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine (CID 122492388) is N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine.
What is the SMILES notation for N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine?
The canonical SMILES for N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine is CCCCCC(CC)N(CCOC)CC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine?
The InChIKey is XVZGTVNGFLREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-6-10-12-14-19(9-4)20(15-16-21-5)17-18(8-3)13-11-7-2/h18-19H,6-17H2,1-5H3.
What are the key properties of N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine?
N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine has a molecular weight of 299.54 g/mol, XLogP of 5.51, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N-(2-methoxyethyl)octan-3-amine is sourced from PubChem (CID 122492388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).