4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol

C12H28N2O2 — CID 64826950

IUPAC4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCN(CCOC)CCC(CO)NC(C)C
InChIInChI=1S/C12H28N2O2/c1-5-14(8-9-16-4)7-6-12(10-15)13-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyQZSWDWZCPAODON-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.70
Rot. Bonds10

About 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol

4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64826950) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol
PubChem CID64826950
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCN(CCOC)CCC(CO)NC(C)C
InChIInChI=1S/C12H28N2O2/c1-5-14(8-9-16-4)7-6-12(10-15)13-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyQZSWDWZCPAODON-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol
CID 64796057
4-[bis(2-methoxyethyl)amino]-2-(ethylamino)butan-1-ol
CID 64827985
4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
CID 64789380
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 81064401
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
2-amino-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 63054468
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol (CID 64826950) is 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol is CCN(CCOC)CCC(CO)NC(C)C.
What is the InChIKey of 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is QZSWDWZCPAODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-5-14(8-9-16-4)7-6-12(10-15)13-11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol?
4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 0.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64826950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).