N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine

C16H36N4 — CID 11778649

IUPACN'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCC1CCC1
InChIInChI=1S/C16H36N4/c1-2-17-9-4-10-18-11-5-12-19-13-6-14-20-15-16-7-3-8-16/h16-20H,2-15H2,1H3
InChIKeyHYFOUKKKSCUXDI-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.34
Rot. Bonds15

About N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine

N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine (PubChem CID 11778649) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
PubChem CID11778649
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC NameN'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCC1CCC1
InChIInChI=1S/C16H36N4/c1-2-17-9-4-10-18-11-5-12-19-13-6-14-20-15-16-7-3-8-16/h16-20H,2-15H2,1H3
InChIKeyHYFOUKKKSCUXDI-UHFFFAOYSA-N
XLogP1.34
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine (CID 11778649) is N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine is CCNCCCNCCCNCCCNCC1CCC1.
What is the InChIKey of N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
The InChIKey is HYFOUKKKSCUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-2-17-9-4-10-18-11-5-12-19-13-6-14-20-15-16-7-3-8-16/h16-20H,2-15H2,1H3.
What are the key properties of N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine?
N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.34, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 11778649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).