N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine

C14H31NO2 — CID 114201763

IUPACN-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
SMILESCCNC(COCCOC)CC(C)CC(C)C
InChIInChI=1S/C14H31NO2/c1-6-15-14(11-17-8-7-16-5)10-13(4)9-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyBOFWFEPMEJBUSM-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.70
Rot. Bonds11

About N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine

N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine (PubChem CID 114201763) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
PubChem CID114201763
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
SMILESCCNC(COCCOC)CC(C)CC(C)C
InChIInChI=1S/C14H31NO2/c1-6-15-14(11-17-8-7-16-5)10-13(4)9-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyBOFWFEPMEJBUSM-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.70
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

N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
CID 102928377
N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine
CID 115891973
N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 107506939
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
N-ethyl-4-methyl-1-propan-2-yloxypentan-2-amine
CID 79574126
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
1-tert-butylsulfanyl-N-ethyl-4,6-dimethylheptan-2-amine
CID 114200920
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
N-ethyl-1-(2-methoxyethoxy)-3-pyridin-2-ylpropan-2-amine
CID 114032870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine (CID 114201763) is N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine is CCNC(COCCOC)CC(C)CC(C)C.
What is the InChIKey of N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine?
The InChIKey is BOFWFEPMEJBUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-15-14(11-17-8-7-16-5)10-13(4)9-12(2)3/h12-15H,6-11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine?
N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine is sourced from PubChem (CID 114201763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).