1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol

C14H31NO2 — CID 62624635

IUPAC1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
SMILESCOCCN(CCC(O)C(C)(C)C)CC(C)C
InChIInChI=1S/C14H31NO2/c1-12(2)11-15(9-10-17-6)8-7-13(16)14(3,4)5/h12-13,16H,7-11H2,1-6H3
InChIKeyUQPFNICDZAHZRR-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol

1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 62624635) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID62624635
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
SMILESCOCCN(CCC(O)C(C)(C)C)CC(C)C
InChIInChI=1S/C14H31NO2/c1-12(2)11-15(9-10-17-6)8-7-13(16)14(3,4)5/h12-13,16H,7-11H2,1-6H3
InChIKeyUQPFNICDZAHZRR-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 82952304
ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
CID 63053393
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429784
N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 62431378
1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
N-[2-(2-aminoethoxy)ethyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 79478302
1-(dipropylamino)-4,4-dimethylpentan-3-ol
CID 62623381
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol (CID 62624635) is 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol is COCCN(CCC(O)C(C)(C)C)CC(C)C.
What is the InChIKey of 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is UQPFNICDZAHZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-12(2)11-15(9-10-17-6)8-7-13(16)14(3,4)5/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol?
1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 245.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62624635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).