1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol

C18H34N4O — CID 177368261

IUPAC1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol
SMILESCC(O)(NCCCNCCCCNCCCN)c1ccccc1
InChIInChI=1S/C18H34N4O/c1-18(23,17-9-3-2-4-10-17)22-16-8-15-21-13-6-5-12-20-14-7-11-19/h2-4,9-10,20-23H,5-8,11-16,19H2,1H3
InChIKeyBYSLZRXLZBKYIA-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.14
Rot. Bonds14

About 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol

1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol (PubChem CID 177368261) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol.

Molecular Properties

Compound Name1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol
PubChem CID177368261
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol
SMILESCC(O)(NCCCNCCCCNCCCN)c1ccccc1
InChIInChI=1S/C18H34N4O/c1-18(23,17-9-3-2-4-10-17)22-16-8-15-21-13-6-5-12-20-14-7-11-19/h2-4,9-10,20-23H,5-8,11-16,19H2,1H3
InChIKeyBYSLZRXLZBKYIA-UHFFFAOYSA-N
XLogP1.14
TPSA82.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropylamino)butylamino]-1-(2-ethylphenyl)ethanol
CID 177368285
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
N'-trityl-N-[4-[7-(tritylamino)heptylamino]butyl]heptane-1,7-diamine
CID 101358103
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N'-[3-(ditritylamino)propyl]butane-1,4-diamine
CID 69196848
N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine
CID 146412397
3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
CID 22155909
N'-benzyl-N-[3-(tritylamino)propyl]butane-1,4-diamine
CID 101096515
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
3-amino-1-(ethylamino)-1-phenylpropan-1-ol
CID 151338197
1-amino-3-phenylpentan-3-ol
CID 79006155

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol?
The IUPAC name of 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol (CID 177368261) is 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol.
What is the SMILES notation for 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol?
The canonical SMILES for 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol is CC(O)(NCCCNCCCCNCCCN)c1ccccc1.
What is the InChIKey of 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol?
The InChIKey is BYSLZRXLZBKYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-18(23,17-9-3-2-4-10-17)22-16-8-15-21-13-6-5-12-20-14-7-11-19/h2-4,9-10,20-23H,5-8,11-16,19H2,1H3.
What are the key properties of 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol?
1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol has a molecular weight of 322.50 g/mol, XLogP of 1.14, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol is sourced from PubChem (CID 177368261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).