N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine

C9H23N3 — CID 86127606

IUPACN'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
SMILESCCN(CCCN)CCCCN
InChIInChI=1S/C9H23N3/c1-2-12(9-5-7-11)8-4-3-6-10/h2-11H2,1H3
InChIKeyZVBQKUVIFJDEHB-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.40
Rot. Bonds8

About N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine

N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine (PubChem CID 86127606) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
PubChem CID86127606
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
SMILESCCN(CCCN)CCCCN
InChIInChI=1S/C9H23N3/c1-2-12(9-5-7-11)8-4-3-6-10/h2-11H2,1H3
InChIKeyZVBQKUVIFJDEHB-UHFFFAOYSA-N
XLogP0.40
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N,N-diethylicos-9-ene-1,20-diamine
CID 154402145
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine (CID 86127606) is N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine is CCN(CCCN)CCCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine?
The InChIKey is ZVBQKUVIFJDEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-2-12(9-5-7-11)8-4-3-6-10/h2-11H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine?
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine is sourced from PubChem (CID 86127606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).