3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol

C13H30N2O — CID 114493012

IUPAC3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
SMILESCCN(CC)CC(C)NCC(O)(CC)CC
InChIInChI=1S/C13H30N2O/c1-6-13(16,7-2)11-14-12(5)10-15(8-3)9-4/h12,14,16H,6-11H2,1-5H3
InChIKeyMFHAJEMLLKAHMG-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.86
Rot. Bonds9

About 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol

3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol (PubChem CID 114493012) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
PubChem CID114493012
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
SMILESCCN(CC)CC(C)NCC(O)(CC)CC
InChIInChI=1S/C13H30N2O/c1-6-13(16,7-2)11-14-12(5)10-15(8-3)9-4/h12,14,16H,6-11H2,1-5H3
InChIKeyMFHAJEMLLKAHMG-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
CID 114493013
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
CID 65107716
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
CID 166937808
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
3-[(pentan-3-ylamino)methyl]pentan-3-ol
CID 65105308
1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine
CID 106547113
3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol
CID 114986046
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
CID 106723563
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol (CID 114493012) is 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol is CCN(CC)CC(C)NCC(O)(CC)CC.
What is the InChIKey of 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol?
The InChIKey is MFHAJEMLLKAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-13(16,7-2)11-14-12(5)10-15(8-3)9-4/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol?
3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol has a molecular weight of 230.40 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114493012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).