2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol

C13H31N3O — CID 64828090

IUPAC2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
SMILESCC(C)CN(CCN(C)C)CCC(C)(N)CO
InChIInChI=1S/C13H31N3O/c1-12(2)10-16(9-8-15(4)5)7-6-13(3,14)11-17/h12,17H,6-11,14H2,1-5H3
InChIKeySNXFEJQFWRXFPK-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.61
Rot. Bonds9

About 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol

2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol (PubChem CID 64828090) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
PubChem CID64828090
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
SMILESCC(C)CN(CCN(C)C)CCC(C)(N)CO
InChIInChI=1S/C13H31N3O/c1-12(2)10-16(9-8-15(4)5)7-6-13(3,14)11-17/h12,17H,6-11,14H2,1-5H3
InChIKeySNXFEJQFWRXFPK-UHFFFAOYSA-N
XLogP0.61
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 62271300
2-amino-3-[ethyl(2-methylpropyl)amino]-2-methylpropan-1-ol
CID 64797216
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64791427
1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 64818666
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol
CID 64791232
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
2-amino-5-[butan-2-yl(methyl)amino]-2-methylpentan-1-ol
CID 64797842
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228961
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanehydrazide
CID 63585784

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol (CID 64828090) is 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol is CC(C)CN(CCN(C)C)CCC(C)(N)CO.
What is the InChIKey of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol?
The InChIKey is SNXFEJQFWRXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-12(2)10-16(9-8-15(4)5)7-6-13(3,14)11-17/h12,17H,6-11,14H2,1-5H3.
What are the key properties of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol?
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64828090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).