1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol

C10H26N4O2 — CID 90117860

IUPAC1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol
SMILESCCCC(N)N(CC(O)CN)CC(O)CN
InChIInChI=1S/C10H26N4O2/c1-2-3-10(13)14(6-8(15)4-11)7-9(16)5-12/h8-10,15-16H,2-7,11-13H2,1H3
InChIKeyGUELOVUBRQGOKK-UHFFFAOYSA-N
MW234.34 g/mol
LogP-1.99
Rot. Bonds9

About 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol

1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol (PubChem CID 90117860) has the molecular formula C10H26N4O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol
PubChem CID90117860
Molecular FormulaC10H26N4O2
Molecular Weight234.34 g/mol
Exact Mass234.21
IUPAC Name1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol
SMILESCCCC(N)N(CC(O)CN)CC(O)CN
InChIInChI=1S/C10H26N4O2/c1-2-3-10(13)14(6-8(15)4-11)7-9(16)5-12/h8-10,15-16H,2-7,11-13H2,1H3
InChIKeyGUELOVUBRQGOKK-UHFFFAOYSA-N
XLogP-1.99
TPSA121.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
CID 87385985
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044
(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol
CID 159375210
1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
CID 43273601
1-N'-(1-aminobutyl)-1-N'-ethylbutane-1,1-diamine
CID 18916068
1-aminohenicosan-2-ol
CID 88605177
(2R)-1-aminooctan-2-ol
CID 13476237
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
1-aminobutan-2-ol;propane-1,3-diamine
CID 159214940
1-aminopentan-2-ol;1-aminopentan-2-one
CID 143109890

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol (CID 90117860) is 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol is CCCC(N)N(CC(O)CN)CC(O)CN.
What is the InChIKey of 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is GUELOVUBRQGOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O2/c1-2-3-10(13)14(6-8(15)4-11)7-9(16)5-12/h8-10,15-16H,2-7,11-13H2,1H3.
What are the key properties of 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol?
1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of -1.99, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 90117860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).