4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol

C11H26N2O — CID 79361609

IUPAC4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol
SMILESCC(CCN(C)C)NCCC(C)(C)O
InChIInChI=1S/C11H26N2O/c1-10(6-9-13(4)5)12-8-7-11(2,3)14/h10,12,14H,6-9H2,1-5H3
InChIKeyJVFMQSHRQDGBCP-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds7

About 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol

4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol (PubChem CID 79361609) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol
PubChem CID79361609
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol
SMILESCC(CCN(C)C)NCCC(C)(C)O
InChIInChI=1S/C11H26N2O/c1-10(6-9-13(4)5)12-8-7-11(2,3)14/h10,12,14H,6-9H2,1-5H3
InChIKeyJVFMQSHRQDGBCP-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(pentan-2-ylamino)butan-2-ol
CID 79361894
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
3-[2-(dimethylamino)ethylamino]butan-1-ol
CID 83176952
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
N-(4-chlorobutan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 83186512
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol (CID 79361609) is 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol is CC(CCN(C)C)NCCC(C)(C)O.
What is the InChIKey of 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol?
The InChIKey is JVFMQSHRQDGBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(6-9-13(4)5)12-8-7-11(2,3)14/h10,12,14H,6-9H2,1-5H3.
What are the key properties of 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol?
4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79361609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).