1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol

C9H23N3O — CID 106145231

IUPAC1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCCCN
InChIInChI=1S/C9H23N3O/c1-9(13,8-12(2)3)7-11-6-4-5-10/h11,13H,4-8,10H2,1-3H3
InChIKeyCUAZQBIUXIXCLI-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.76
Rot. Bonds7

About 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106145231) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106145231
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCCCN
InChIInChI=1S/C9H23N3O/c1-9(13,8-12(2)3)7-11-6-4-5-10/h11,13H,4-8,10H2,1-3H3
InChIKeyCUAZQBIUXIXCLI-UHFFFAOYSA-N
XLogP-0.76
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
CID 173290454
1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol
CID 106147426
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441
N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
CID 11007372
3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
CID 104644350
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
N-carbamoyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147492
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-propylacetamide
CID 106147606

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106145231) is 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCCCN.
What is the InChIKey of 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is CUAZQBIUXIXCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O/c1-9(13,8-12(2)3)7-11-6-4-5-10/h11,13H,4-8,10H2,1-3H3.
What are the key properties of 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 189.30 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106145231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).