N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine

C18H39NO — CID 63503515

IUPACN-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
SMILESCCCCCCCCCCC(CNCCOC)C(C)C
InChIInChI=1S/C18H39NO/c1-5-6-7-8-9-10-11-12-13-18(17(2)3)16-19-14-15-20-4/h17-19H,5-16H2,1-4H3
InChIKeyHGAVDCCLMUGCJQ-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.03
Rot. Bonds15

About N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine

N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine (PubChem CID 63503515) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
PubChem CID63503515
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
SMILESCCCCCCCCCCC(CNCCOC)C(C)C
InChIInChI=1S/C18H39NO/c1-5-6-7-8-9-10-11-12-13-18(17(2)3)16-19-14-15-20-4/h17-19H,5-16H2,1-4H3
InChIKeyHGAVDCCLMUGCJQ-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.03
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

N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
N-ethyl-2-propan-2-yldodecan-1-amine
CID 63521323
N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296
6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
CID 104649184
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675
(2S)-2-butan-2-yl-N-propylheptan-1-amine
CID 164875858
N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
CID 107757036
6-propan-2-yltridecane
CID 123704479
8-propan-2-ylpentadecane
CID 153475308

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine (CID 63503515) is N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine is CCCCCCCCCCC(CNCCOC)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine?
The InChIKey is HGAVDCCLMUGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-5-6-7-8-9-10-11-12-13-18(17(2)3)16-19-14-15-20-4/h17-19H,5-16H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine?
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine is sourced from PubChem (CID 63503515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).