3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol

C11H27N3O — CID 114357301

IUPAC3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)N(C)CCN(C)C
InChIInChI=1S/C11H27N3O/c1-9(2)11(12)10(8-15)14(5)7-6-13(3)4/h9-11,15H,6-8,12H2,1-5H3
InChIKeyDAQCGLRGKLKZGJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP-0.18
Rot. Bonds7

About 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol

3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol (PubChem CID 114357301) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol
PubChem CID114357301
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)N(C)CCN(C)C
InChIInChI=1S/C11H27N3O/c1-9(2)11(12)10(8-15)14(5)7-6-13(3)4/h9-11,15H,6-8,12H2,1-5H3
InChIKeyDAQCGLRGKLKZGJ-UHFFFAOYSA-N
XLogP-0.18
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[ethyl(2-methoxyethyl)amino]-4-methylpentan-1-ol
CID 114356911
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
CID 114357140
3-amino-4-methyl-2-[methyl-(4-methylcyclohexyl)amino]pentan-1-ol
CID 114356872
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760
2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63701229
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
(2R)-2-(dimethylamino)-3-methylbutan-1-ol
CID 93492101
3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
CID 63698741
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol (CID 114357301) is 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol is CC(C)C(N)C(CO)N(C)CCN(C)C.
What is the InChIKey of 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol?
The InChIKey is DAQCGLRGKLKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-9(2)11(12)10(8-15)14(5)7-6-13(3)4/h9-11,15H,6-8,12H2,1-5H3.
What are the key properties of 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol?
3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol has a molecular weight of 217.36 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 114357301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).