3-[diethylamino(ethyl)amino]propan-1-amine

C9H23N3 — CID 150305009

IUPAC3-[diethylamino(ethyl)amino]propan-1-amine
SMILESCCN(CC)N(CC)CCCN
InChIInChI=1S/C9H23N3/c1-4-11(5-2)12(6-3)9-7-8-10/h4-10H2,1-3H3
InChIKeyGKKFBXNSDDHQDQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.91
Rot. Bonds7

About 3-[diethylamino(ethyl)amino]propan-1-amine

3-[diethylamino(ethyl)amino]propan-1-amine (PubChem CID 150305009) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-[diethylamino(ethyl)amino]propan-1-amine.

Molecular Properties

Compound Name3-[diethylamino(ethyl)amino]propan-1-amine
PubChem CID150305009
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name3-[diethylamino(ethyl)amino]propan-1-amine
SMILESCCN(CC)N(CC)CCCN
InChIInChI=1S/C9H23N3/c1-4-11(5-2)12(6-3)9-7-8-10/h4-10H2,1-3H3
InChIKeyGKKFBXNSDDHQDQ-UHFFFAOYSA-N
XLogP0.91
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[diethylamino(ethyl)amino]propan-1-amine?
The IUPAC name of 3-[diethylamino(ethyl)amino]propan-1-amine (CID 150305009) is 3-[diethylamino(ethyl)amino]propan-1-amine.
What is the SMILES notation for 3-[diethylamino(ethyl)amino]propan-1-amine?
The canonical SMILES for 3-[diethylamino(ethyl)amino]propan-1-amine is CCN(CC)N(CC)CCCN.
What is the InChIKey of 3-[diethylamino(ethyl)amino]propan-1-amine?
The InChIKey is GKKFBXNSDDHQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-4-11(5-2)12(6-3)9-7-8-10/h4-10H2,1-3H3.
What are the key properties of 3-[diethylamino(ethyl)amino]propan-1-amine?
3-[diethylamino(ethyl)amino]propan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylamino(ethyl)amino]propan-1-amine is sourced from PubChem (CID 150305009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).