formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen

C6H17NO — CID 144509224

IUPACformaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen
SMILESC=O.CC(C)[C@@H](C)N.[H][H]
InChIInChI=1S/C5H13N.CH2O.H2/c1-4(2)5(3)6;1-2;/h4-5H,6H2,1-3H3;1H2;1H/t5-;;/m1../s1
InChIKeyWTDIGCOBFORBPW-ZJIMSODOSA-N
MW119.21 g/mol
LogP1.05
Rot. Bonds1

About formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen

formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen (PubChem CID 144509224) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameformaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen
PubChem CID144509224
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Nameformaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen
SMILESC=O.CC(C)[C@@H](C)N.[H][H]
InChIInChI=1S/C5H13N.CH2O.H2/c1-4(2)5(3)6;1-2;/h4-5H,6H2,1-3H3;1H2;1H/t5-;;/m1../s1
InChIKeyWTDIGCOBFORBPW-ZJIMSODOSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen?
The IUPAC name of formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen (CID 144509224) is formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen.
What is the SMILES notation for formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen?
The canonical SMILES for formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen is C=O.CC(C)[C@@H](C)N.[H][H].
What is the InChIKey of formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen?
The InChIKey is WTDIGCOBFORBPW-ZJIMSODOSA-N. The full InChI is InChI=1S/C5H13N.CH2O.H2/c1-4(2)5(3)6;1-2;/h4-5H,6H2,1-3H3;1H2;1H/t5-;;/m1../s1.
What are the key properties of formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen?
formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen has a molecular weight of 119.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(2R)-3-methylbutan-2-amine;molecular hydrogen is sourced from PubChem (CID 144509224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).