2-[(propan-2-ylamino)methyl]propane-1,3-diol

C7H17NO2 — CID 162784969

IUPAC2-[(propan-2-ylamino)methyl]propane-1,3-diol
SMILESCC(C)NCC(CO)CO
InChIInChI=1S/C7H17NO2/c1-6(2)8-3-7(4-9)5-10/h6-10H,3-5H2,1-2H3
InChIKeyFARCCIFCVQUQII-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.41
Rot. Bonds5

About 2-[(propan-2-ylamino)methyl]propane-1,3-diol

2-[(propan-2-ylamino)methyl]propane-1,3-diol (PubChem CID 162784969) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[(propan-2-ylamino)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(propan-2-ylamino)methyl]propane-1,3-diol
PubChem CID162784969
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-[(propan-2-ylamino)methyl]propane-1,3-diol
SMILESCC(C)NCC(CO)CO
InChIInChI=1S/C7H17NO2/c1-6(2)8-3-7(4-9)5-10/h6-10H,3-5H2,1-2H3
InChIKeyFARCCIFCVQUQII-UHFFFAOYSA-N
XLogP-0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(hydroxymethyl)-4-(propan-2-ylamino)butanenitrile
CID 174264516
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
5-methyl-3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 115906054
(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol
CID 58660094
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
N-methyl-N'-propan-2-yl-2-[(propan-2-ylamino)methyl]propane-1,3-diamine
CID 166866931
1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
(2S,3R,4S,5S)-2,3,5-trimethyl-6-(propan-2-ylamino)hexane-1,4-diol
CID 166863957
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
CID 89172400
CID 89172400
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525

Frequently Asked Questions

What is the IUPAC name of 2-[(propan-2-ylamino)methyl]propane-1,3-diol?
The IUPAC name of 2-[(propan-2-ylamino)methyl]propane-1,3-diol (CID 162784969) is 2-[(propan-2-ylamino)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(propan-2-ylamino)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(propan-2-ylamino)methyl]propane-1,3-diol is CC(C)NCC(CO)CO.
What is the InChIKey of 2-[(propan-2-ylamino)methyl]propane-1,3-diol?
The InChIKey is FARCCIFCVQUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2)8-3-7(4-9)5-10/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-[(propan-2-ylamino)methyl]propane-1,3-diol?
2-[(propan-2-ylamino)methyl]propane-1,3-diol has a molecular weight of 147.22 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propan-2-ylamino)methyl]propane-1,3-diol is sourced from PubChem (CID 162784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).