4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol

C14H32N2O — CID 113499938

IUPAC4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
SMILESCCC(C)(CNC(C)C)CN(C)CCC(C)O
InChIInChI=1S/C14H32N2O/c1-7-14(5,10-15-12(2)3)11-16(6)9-8-13(4)17/h12-13,15,17H,7-11H2,1-6H3
InChIKeyLLZTUUXDFLHEMZ-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.10
Rot. Bonds9

About 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol

4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol (PubChem CID 113499938) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
PubChem CID113499938
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
SMILESCCC(C)(CNC(C)C)CN(C)CCC(C)O
InChIInChI=1S/C14H32N2O/c1-7-14(5,10-15-12(2)3)11-16(6)9-8-13(4)17/h12-13,15,17H,7-11H2,1-6H3
InChIKeyLLZTUUXDFLHEMZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297
methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
CID 115976307
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol (CID 113499938) is 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol is CCC(C)(CNC(C)C)CN(C)CCC(C)O.
What is the InChIKey of 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol?
The InChIKey is LLZTUUXDFLHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-14(5,10-15-12(2)3)11-16(6)9-8-13(4)17/h12-13,15,17H,7-11H2,1-6H3.
What are the key properties of 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol?
4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol has a molecular weight of 244.42 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol is sourced from PubChem (CID 113499938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).