3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol

C11H26N2O2 — CID 82849978

IUPAC3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
SMILESCCCN(CC(O)CO)CC(C)(C)CN
InChIInChI=1S/C11H26N2O2/c1-4-5-13(6-10(15)7-14)9-11(2,3)8-12/h10,14-15H,4-9,12H2,1-3H3
InChIKeyIPBAGQCVSKYUBS-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.04
Rot. Bonds8

About 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol

3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol (PubChem CID 82849978) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
PubChem CID82849978
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
SMILESCCCN(CC(O)CO)CC(C)(C)CN
InChIInChI=1S/C11H26N2O2/c1-4-5-13(6-10(15)7-14)9-11(2,3)8-12/h10,14-15H,4-9,12H2,1-3H3
InChIKeyIPBAGQCVSKYUBS-UHFFFAOYSA-N
XLogP0.04
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
CID 79661269
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662162
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
1-amino-3-(dipropylamino)-2-methylpropan-2-ol
CID 64819638
3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-ol
CID 62270214

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol (CID 82849978) is 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol is CCCN(CC(O)CO)CC(C)(C)CN.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol?
The InChIKey is IPBAGQCVSKYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-5-13(6-10(15)7-14)9-11(2,3)8-12/h10,14-15H,4-9,12H2,1-3H3.
What are the key properties of 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol?
3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol has a molecular weight of 218.34 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol is sourced from PubChem (CID 82849978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).