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

C12H28N2O — CID 62008603

IUPAC3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
SMILESCCCN(CCCO)C(CC)(CC)CN
InChIInChI=1S/C12H28N2O/c1-4-8-14(9-7-10-15)12(5-2,6-3)11-13/h15H,4-11,13H2,1-3H3
InChIKeyGTMUPTKXGPBXPP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.60
Rot. Bonds9

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

3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol (PubChem CID 62008603) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
PubChem CID62008603
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
SMILESCCCN(CCCO)C(CC)(CC)CN
InChIInChI=1S/C12H28N2O/c1-4-8-14(9-7-10-15)12(5-2,6-3)11-13/h15H,4-11,13H2,1-3H3
InChIKeyGTMUPTKXGPBXPP-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
2-ethyl-2-N-(2-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62103453
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine
CID 63481010
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol?
The IUPAC name of 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol (CID 62008603) is 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol?
The canonical SMILES for 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol is CCCN(CCCO)C(CC)(CC)CN.
What is the InChIKey of 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol?
The InChIKey is GTMUPTKXGPBXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-8-14(9-7-10-15)12(5-2,6-3)11-13/h15H,4-11,13H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol?
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol is sourced from PubChem (CID 62008603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).