4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol

C12H28N2O3 — CID 64827985

IUPAC4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN(CCOC)CCOC
InChIInChI=1S/C12H28N2O3/c1-4-13-12(11-15)5-6-14(7-9-16-2)8-10-17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyLPKCIFVRMWRVRT-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.06
Rot. Bonds12

About 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol

4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol (PubChem CID 64827985) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol
PubChem CID64827985
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN(CCOC)CCOC
InChIInChI=1S/C12H28N2O3/c1-4-13-12(11-15)5-6-14(7-9-16-2)8-10-17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyLPKCIFVRMWRVRT-UHFFFAOYSA-N
XLogP-0.06
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826950
2-N-ethyl-1-N,1-N-bis(2-methoxyethyl)pentane-1,2-diamine
CID 62043594
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butan-1-ol
CID 64828303
4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
CID 64789571
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butan-1-ol
CID 81063410
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butan-1-ol
CID 64797013
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
2-(ethylamino)-3-methylsulfanylpropan-1-ol
CID 64806015
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 61418838

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol (CID 64827985) is 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol is CCNC(CO)CCN(CCOC)CCOC.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol?
The InChIKey is LPKCIFVRMWRVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-4-13-12(11-15)5-6-14(7-9-16-2)8-10-17-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol?
4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of -0.06, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64827985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).