2-(2-methylpentylamino)propane-1,3-diol

C9H21NO2 — CID 65315712

IUPAC2-(2-methylpentylamino)propane-1,3-diol
SMILESCCCC(C)CNC(CO)CO
InChIInChI=1S/C9H21NO2/c1-3-4-8(2)5-10-9(6-11)7-12/h8-12H,3-7H2,1-2H3
InChIKeyDADXYQLENFGOBD-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.37
Rot. Bonds7

About 2-(2-methylpentylamino)propane-1,3-diol

2-(2-methylpentylamino)propane-1,3-diol (PubChem CID 65315712) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(2-methylpentylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-methylpentylamino)propane-1,3-diol
PubChem CID65315712
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(2-methylpentylamino)propane-1,3-diol
SMILESCCCC(C)CNC(CO)CO
InChIInChI=1S/C9H21NO2/c1-3-4-8(2)5-10-9(6-11)7-12/h8-12H,3-7H2,1-2H3
InChIKeyDADXYQLENFGOBD-UHFFFAOYSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-methylpentylamino)pentan-1-ol
CID 61245377
2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
1-(2-methylpentylamino)ethanol
CID 88836184
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentylamino)propane-1,3-diol?
The IUPAC name of 2-(2-methylpentylamino)propane-1,3-diol (CID 65315712) is 2-(2-methylpentylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2-methylpentylamino)propane-1,3-diol?
The canonical SMILES for 2-(2-methylpentylamino)propane-1,3-diol is CCCC(C)CNC(CO)CO.
What is the InChIKey of 2-(2-methylpentylamino)propane-1,3-diol?
The InChIKey is DADXYQLENFGOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-4-8(2)5-10-9(6-11)7-12/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpentylamino)propane-1,3-diol?
2-(2-methylpentylamino)propane-1,3-diol has a molecular weight of 175.27 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentylamino)propane-1,3-diol is sourced from PubChem (CID 65315712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).