3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol

C11H26N2O2 — CID 58586497

IUPAC3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
SMILESCCC(CN)CC(C)CNCC(O)CO
InChIInChI=1S/C11H26N2O2/c1-3-10(5-12)4-9(2)6-13-7-11(15)8-14/h9-11,13-15H,3-8,12H2,1-2H3
InChIKeyKAOOCIJNUHRWKV-UHFFFAOYSA-N
MW218.34 g/mol
LogP-0.06
Rot. Bonds9

About 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol

3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol (PubChem CID 58586497) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
PubChem CID58586497
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
SMILESCCC(CN)CC(C)CNCC(O)CO
InChIInChI=1S/C11H26N2O2/c1-3-10(5-12)4-9(2)6-13-7-11(15)8-14/h9-11,13-15H,3-8,12H2,1-2H3
InChIKeyKAOOCIJNUHRWKV-UHFFFAOYSA-N
XLogP-0.06
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol with MolForge

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Related Compounds

1,3-bis[(4-ethyl-2-methylhexyl)amino]propan-2-ol
CID 58325451
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
[5-[[3-[[4-(aminomethyl)-2-methylhexyl]amino]-2-hydroxypropyl]amino]-2-ethyl-4-methylpentyl]azanium;oxido formate
CID 91550799
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
1-[[4,8-bis(aminomethyl)-2-[2,4-bis(aminomethyl)hexyl]-6-methyldecyl]amino]butan-2-ol;4,6,8,10-tetrakis(aminomethyl)-2-ethyl-12-propyltridecane-1,13-diamine
CID 142218265
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
CID 88895259
(2S)-1-amino-5-[[(2S,4R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
CID 88895260
5-ethyl-7-methylnonane-1,2-diol
CID 87744088
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol (CID 58586497) is 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol is CCC(CN)CC(C)CNCC(O)CO.
What is the InChIKey of 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol?
The InChIKey is KAOOCIJNUHRWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-3-10(5-12)4-9(2)6-13-7-11(15)8-14/h9-11,13-15H,3-8,12H2,1-2H3.
What are the key properties of 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol?
3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol has a molecular weight of 218.34 g/mol, XLogP of -0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol is sourced from PubChem (CID 58586497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).