5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol

C10H24N2O — CID 107198475

IUPAC5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
SMILESCCC(CN)N(C)CCCCCO
InChIInChI=1S/C10H24N2O/c1-3-10(9-11)12(2)7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3
InChIKeyOREGVLAWEIVTGS-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds8

About 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol

5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol (PubChem CID 107198475) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
PubChem CID107198475
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
SMILESCCC(CN)N(C)CCCCCO
InChIInChI=1S/C10H24N2O/c1-3-10(9-11)12(2)7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3
InChIKeyOREGVLAWEIVTGS-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
2-[6-hydroxyhexyl(methyl)amino]propanethioamide
CID 107703801
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
CID 104710985
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
1-amino-2-methyl-5-[methyl(pentan-3-yl)amino]pentan-2-ol
CID 64819989
5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
CID 107198399

Frequently Asked Questions

What is the IUPAC name of 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol?
The IUPAC name of 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol (CID 107198475) is 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol?
The canonical SMILES for 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol is CCC(CN)N(C)CCCCCO.
What is the InChIKey of 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol?
The InChIKey is OREGVLAWEIVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-10(9-11)12(2)7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol?
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol is sourced from PubChem (CID 107198475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).