N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine

C15H34N4 — CID 45271264

IUPACN-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
SMILESC=C(C)CNCCCNCCCNCCCNCC
InChIInChI=1S/C15H34N4/c1-4-16-8-5-9-17-10-6-11-18-12-7-13-19-14-15(2)3/h16-19H,2,4-14H2,1,3H3
InChIKeyKUYUWQQKSDQJBP-UHFFFAOYSA-N
MW270.46 g/mol
LogP1.11
Rot. Bonds15

About N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine

N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine (PubChem CID 45271264) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
PubChem CID45271264
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
SMILESC=C(C)CNCCCNCCCNCCCNCC
InChIInChI=1S/C15H34N4/c1-4-16-8-5-9-17-10-6-11-18-12-7-13-19-14-15(2)3/h16-19H,2,4-14H2,1,3H3
InChIKeyKUYUWQQKSDQJBP-UHFFFAOYSA-N
XLogP1.11
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine (CID 45271264) is N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine is C=C(C)CNCCCNCCCNCCCNCC.
What is the InChIKey of N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine?
The InChIKey is KUYUWQQKSDQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-4-16-8-5-9-17-10-6-11-18-12-7-13-19-14-15(2)3/h16-19H,2,4-14H2,1,3H3.
What are the key properties of N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine?
N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 1.11, 15 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-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 45271264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).