N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine

C8H21N3 — CID 13074402

IUPACN'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)CCCN
InChIInChI=1S/C8H21N3/c1-2-11(7-3-5-9)8-4-6-10/h2-10H2,1H3
InChIKeyZKKMLXOYLORBLV-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.01
Rot. Bonds7

About N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine

N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine (PubChem CID 13074402) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine
PubChem CID13074402
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)CCCN
InChIInChI=1S/C8H21N3/c1-2-11(7-3-5-9)8-4-6-10/h2-10H2,1H3
InChIKeyZKKMLXOYLORBLV-UHFFFAOYSA-N
XLogP0.01
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine (CID 13074402) is N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is ZKKMLXOYLORBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-2-11(7-3-5-9)8-4-6-10/h2-10H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine?
N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 13074402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).