carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol

C12H29N3O6 — CID 21119692

IUPACcarbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
SMILESCCN(CC)CC(CC)(CO)CO.NC(=O)O.NC(=O)O
InChIInChI=1S/C10H23NO2.2CH3NO2/c1-4-10(8-12,9-13)7-11(5-2)6-3;2*2-1(3)4/h12-13H,4-9H2,1-3H3;2*2H2,(H,3,4)
InChIKeyYYEYRCPITUKOND-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.04
Rot. Bonds7

About carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol

carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol (PubChem CID 21119692) has the molecular formula C12H29N3O6 and a molecular weight of 311.38 g/mol. Its IUPAC name is carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Namecarbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
PubChem CID21119692
Molecular FormulaC12H29N3O6
Molecular Weight311.38 g/mol
Exact Mass311.21
IUPAC Namecarbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol
SMILESCCN(CC)CC(CC)(CO)CO.NC(=O)O.NC(=O)O
InChIInChI=1S/C10H23NO2.2CH3NO2/c1-4-10(8-12,9-13)7-11(5-2)6-3;2*2-1(3)4/h12-13H,4-9H2,1-3H3;2*2H2,(H,3,4)
InChIKeyYYEYRCPITUKOND-UHFFFAOYSA-N
XLogP-0.04
TPSA170.34 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylaminomethyl)-2-propylpropane-1,3-diol
CID 21119690
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 71338644
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
CID 54545518
3-ethyl-3-(hydroxymethyl)pentanoic acid
CID 18509345
3,3-bis(hydroxymethyl)pentanoic acid
CID 123622659
(E)-but-2-enedioic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 21315665
CID 173434683
CID 173434683
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
N'-butyl-N',2,2-triethylpropane-1,3-diamine
CID 62262666

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
The IUPAC name of carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol (CID 21119692) is carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol.
What is the SMILES notation for carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
The canonical SMILES for carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol is CCN(CC)CC(CC)(CO)CO.NC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
The InChIKey is YYEYRCPITUKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2.2CH3NO2/c1-4-10(8-12,9-13)7-11(5-2)6-3;2*2-1(3)4/h12-13H,4-9H2,1-3H3;2*2H2,(H,3,4).
What are the key properties of carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol?
carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol has a molecular weight of 311.38 g/mol, XLogP of -0.04, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-(diethylaminomethyl)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 21119692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).