N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine

C24H54N4O — CID 174830019

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine
SMILESCCCCCCCCCCCCCCN(O)CCCNCCCCNCCCN
InChIInChI=1S/C24H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-28(29)24-17-22-27-20-14-13-19-26-21-16-18-25/h26-27,29H,2-25H2,1H3
InChIKeyHDZZHAUPGGBLQY-UHFFFAOYSA-N
MW414.72 g/mol
LogP5.08
Rot. Bonds25

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine (PubChem CID 174830019) has the molecular formula C24H54N4O and a molecular weight of 414.72 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine
PubChem CID174830019
Molecular FormulaC24H54N4O
Molecular Weight414.72 g/mol
Exact Mass414.43
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine
SMILESCCCCCCCCCCCCCCN(O)CCCNCCCCNCCCN
InChIInChI=1S/C24H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-28(29)24-17-22-27-20-14-13-19-26-21-16-18-25/h26-27,29H,2-25H2,1H3
InChIKeyHDZZHAUPGGBLQY-UHFFFAOYSA-N
XLogP5.08
TPSA73.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 55.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 167246279
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
2-aminoethanol;N-octyloctan-1-amine
CID 158421885
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-pentyltridecane-1,13-diamine
CID 174397381
N-(4-aminobutyl)-N-[3-[4-(4-aminobutylamino)butylamino]propyl]octadecane-1-sulfonamide
CID 158958284
pentacosan-1-amine;3-(pentacosylamino)propan-1-ol
CID 155339382
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine (CID 174830019) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine is CCCCCCCCCCCCCCN(O)CCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine?
The InChIKey is HDZZHAUPGGBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-28(29)24-17-22-27-20-14-13-19-26-21-16-18-25/h26-27,29H,2-25H2,1H3.
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine has a molecular weight of 414.72 g/mol, XLogP of 5.08, 25 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine is sourced from PubChem (CID 174830019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).