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

C10H26N4O2 — CID 155485180

IUPAC1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol
SMILESCN(CCCNCC(O)CN)CC(O)CN
InChIInChI=1S/C10H26N4O2/c1-14(8-10(16)6-12)4-2-3-13-7-9(15)5-11/h9-10,13,15-16H,2-8,11-12H2,1H3
InChIKeyWIPVSBGCFSQYRO-UHFFFAOYSA-N
MW234.34 g/mol
LogP-2.46
Rot. Bonds10

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

1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol (PubChem CID 155485180) has the molecular formula C10H26N4O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol
PubChem CID155485180
Molecular FormulaC10H26N4O2
Molecular Weight234.34 g/mol
Exact Mass234.21
IUPAC Name1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol
SMILESCN(CCCNCC(O)CN)CC(O)CN
InChIInChI=1S/C10H26N4O2/c1-14(8-10(16)6-12)4-2-3-13-7-9(15)5-11/h9-10,13,15-16H,2-8,11-12H2,1H3
InChIKeyWIPVSBGCFSQYRO-UHFFFAOYSA-N
XLogP-2.46
TPSA107.77 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-2.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
1-[3-[2-hydroxybutyl(methyl)amino]propylamino]-3-methyltridecan-2-ol
CID 89065845
3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
CID 82850479
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
1-amino-3-(ethylamino)propan-2-ol
CID 20604769
(2S)-1-amino-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propan-2-ol
CID 155441245
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol (CID 155485180) is 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol is CN(CCCNCC(O)CN)CC(O)CN.
What is the InChIKey of 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol?
The InChIKey is WIPVSBGCFSQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O2/c1-14(8-10(16)6-12)4-2-3-13-7-9(15)5-11/h9-10,13,15-16H,2-8,11-12H2,1H3.
What are the key properties of 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol?
1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of -2.46, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol is sourced from PubChem (CID 155485180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).