1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol

C12H29N3O — CID 64818666

IUPAC1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
SMILESCC(C)CN(CCN(C)C)CC(C)(O)CN
InChIInChI=1S/C12H29N3O/c1-11(2)8-15(7-6-14(4)5)10-12(3,16)9-13/h11,16H,6-10,13H2,1-5H3
InChIKeyDNOZXBBYQYRLGQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.22
Rot. Bonds8

About 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol

1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 64818666) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
PubChem CID64818666
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
SMILESCC(C)CN(CCN(C)C)CC(C)(O)CN
InChIInChI=1S/C12H29N3O/c1-11(2)8-15(7-6-14(4)5)10-12(3,16)9-13/h11,16H,6-10,13H2,1-5H3
InChIKeyDNOZXBBYQYRLGQ-UHFFFAOYSA-N
XLogP0.22
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 62271300
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002
1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 64820540
1-amino-3-(dipropylamino)-2-methylpropan-2-ol
CID 64819638
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64828090
N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
CID 55056372
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62275835
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)but-2-ene-1,4-diamine
CID 77110690
1-amino-2-methyl-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 64819539

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol (CID 64818666) is 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol is CC(C)CN(CCN(C)C)CC(C)(O)CN.
What is the InChIKey of 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is DNOZXBBYQYRLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-11(2)8-15(7-6-14(4)5)10-12(3,16)9-13/h11,16H,6-10,13H2,1-5H3.
What are the key properties of 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol?
1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 64818666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).