1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol

C10H24N2O — CID 65277906

IUPAC1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol
SMILESCCC(CC)(CN)N(C)CC(C)O
InChIInChI=1S/C10H24N2O/c1-5-10(6-2,8-11)12(4)7-9(3)13/h9,13H,5-8,11H2,1-4H3
InChIKeySRDDJVGCEHLIGW-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds6

About 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol

1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol (PubChem CID 65277906) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol
PubChem CID65277906
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol
SMILESCCC(CC)(CN)N(C)CC(C)O
InChIInChI=1S/C10H24N2O/c1-5-10(6-2,8-11)12(4)7-9(3)13/h9,13H,5-8,11H2,1-4H3
InChIKeySRDDJVGCEHLIGW-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988
2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62010198
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 43568950
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
3-(aminomethyl)-3-[methyl(propan-2-ylsulfamoyl)amino]pentane
CID 114803908
2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
CID 62698957
2-ethyl-2-N-(2-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62103453
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010606

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol (CID 65277906) is 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol is CCC(CC)(CN)N(C)CC(C)O.
What is the InChIKey of 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol?
The InChIKey is SRDDJVGCEHLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-10(6-2,8-11)12(4)7-9(3)13/h9,13H,5-8,11H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol?
1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol is sourced from PubChem (CID 65277906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).