2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine

C19H41NO — CID 63508789

IUPAC2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CCOCCC(C)C)CNCC(C)C
InChIInChI=1S/C19H41NO/c1-7-9-11-19(8-2,16-20-15-18(5)6)12-14-21-13-10-17(3)4/h17-18,20H,7-16H2,1-6H3
InChIKeyOHGKNSKKSURREH-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.27
Rot. Bonds14

About 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine

2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine (PubChem CID 63508789) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
PubChem CID63508789
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CCOCCC(C)C)CNCC(C)C
InChIInChI=1S/C19H41NO/c1-7-9-11-19(8-2,16-20-15-18(5)6)12-14-21-13-10-17(3)4/h17-18,20H,7-16H2,1-6H3
InChIKeyOHGKNSKKSURREH-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.27
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-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617741
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483
4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 62514326
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 62725135
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
CID 62530540

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine (CID 63508789) is 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine is CCCCC(CC)(CCOCCC(C)C)CNCC(C)C.
What is the InChIKey of 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is OHGKNSKKSURREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-7-9-11-19(8-2,16-20-15-18(5)6)12-14-21-13-10-17(3)4/h17-18,20H,7-16H2,1-6H3.
What are the key properties of 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine?
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.27, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 63508789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).