N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine

C16H38N4 — CID 15951508

IUPACN-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCCC(C)C
InChIInChI=1S/C16H38N4/c1-4-17-9-5-10-18-11-6-12-19-13-7-14-20-15-8-16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyIOCSGUKDVIEBBL-UHFFFAOYSA-N
MW286.51 g/mol
LogP1.58
Rot. Bonds16

About N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine

N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine (PubChem CID 15951508) has the molecular formula C16H38N4 and a molecular weight of 286.51 g/mol. Its IUPAC name is N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine
PubChem CID15951508
Molecular FormulaC16H38N4
Molecular Weight286.51 g/mol
Exact Mass286.31
IUPAC NameN-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine
SMILESCCNCCCNCCCNCCCNCCC(C)C
InChIInChI=1S/C16H38N4/c1-4-17-9-5-10-18-11-6-12-19-13-7-14-20-15-8-16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyIOCSGUKDVIEBBL-UHFFFAOYSA-N
XLogP1.58
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 51.58
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-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine (CID 15951508) is N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine is CCNCCCNCCCNCCCNCCC(C)C.
What is the InChIKey of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine?
The InChIKey is IOCSGUKDVIEBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4/c1-4-17-9-5-10-18-11-6-12-19-13-7-14-20-15-8-16(2)3/h16-20H,4-15H2,1-3H3.
What are the key properties of N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine?
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine has a molecular weight of 286.51 g/mol, XLogP of 1.58, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 15951508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).