1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride

C7H19ClN2O — CID 173290454

IUPAC1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CNCCCN.Cl
InChIInChI=1S/C7H18N2O.ClH/c1-7(2,10)6-9-5-3-4-8;/h9-10H,3-6,8H2,1-2H3;1H
InChIKeyNLLCBCZYBIYFID-UHFFFAOYSA-N
MW182.69 g/mol
LogP0.12
Rot. Bonds5

About 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride

1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride (PubChem CID 173290454) has the molecular formula C7H19ClN2O and a molecular weight of 182.69 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
PubChem CID173290454
Molecular FormulaC7H19ClN2O
Molecular Weight182.69 g/mol
Exact Mass182.12
IUPAC Name1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CNCCCN.Cl
InChIInChI=1S/C7H18N2O.ClH/c1-7(2,10)6-9-5-3-4-8;/h9-10H,3-6,8H2,1-2H3;1H
InChIKeyNLLCBCZYBIYFID-UHFFFAOYSA-N
XLogP0.12
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
2-methyl-1-(2-sulfanylethylamino)propan-2-ol
CID 55287531
3-[(2-hydroxy-2-methylpropyl)amino]propane-1-sulfonic acid
CID 138690579
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
3-(3-aminopropylamino)propan-1-ol;dihydrochloride
CID 171689446
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride (CID 173290454) is 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride is CC(C)(O)CNCCCN.Cl.
What is the InChIKey of 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride?
The InChIKey is NLLCBCZYBIYFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.ClH/c1-7(2,10)6-9-5-3-4-8;/h9-10H,3-6,8H2,1-2H3;1H.
What are the key properties of 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride?
1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride has a molecular weight of 182.69 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 173290454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).