1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol

C9H22N2O2 — CID 62273506

IUPAC1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCCN
InChIInChI=1S/C9H22N2O2/c1-8(2)13-7-9(12)6-11-5-3-4-10/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyAHCFSXZOMNOPEG-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.29
Rot. Bonds8

About 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol

1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 62273506) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID62273506
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCCN
InChIInChI=1S/C9H22N2O2/c1-8(2)13-7-9(12)6-11-5-3-4-10/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyAHCFSXZOMNOPEG-UHFFFAOYSA-N
XLogP-0.29
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-aminopropylamino)-3-propan-2-yloxypropan-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

(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 55126959
1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632265
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol (CID 62273506) is 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCCCN.
What is the InChIKey of 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is AHCFSXZOMNOPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(2)13-7-9(12)6-11-5-3-4-10/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol?
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 190.29 g/mol, XLogP of -0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 62273506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).