3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane

C17H41N3 — CID 18320903

IUPAC3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane
SMILESCC(NCCN)C(C)(C)N(C)C.CCCCCCCC
InChIInChI=1S/C9H23N3.C8H18/c1-8(11-7-6-10)9(2,3)12(4)5;1-3-5-7-8-6-4-2/h8,11H,6-7,10H2,1-5H3;3-8H2,1-2H3
InChIKeyPTAIPRNVZXQBJZ-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.63
Rot. Bonds10

About 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane

3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane (PubChem CID 18320903) has the molecular formula C17H41N3 and a molecular weight of 287.54 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane
PubChem CID18320903
Molecular FormulaC17H41N3
Molecular Weight287.54 g/mol
Exact Mass287.33
IUPAC Name3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane
SMILESCC(NCCN)C(C)(C)N(C)C.CCCCCCCC
InChIInChI=1S/C9H23N3.C8H18/c1-8(11-7-6-10)9(2,3)12(4)5;1-3-5-7-8-6-4-2/h8,11H,6-7,10H2,1-5H3;3-8H2,1-2H3
InChIKeyPTAIPRNVZXQBJZ-UHFFFAOYSA-N
XLogP3.63
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane?
The IUPAC name of 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane (CID 18320903) is 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane.
What is the SMILES notation for 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane?
The canonical SMILES for 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane is CC(NCCN)C(C)(C)N(C)C.CCCCCCCC.
What is the InChIKey of 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane?
The InChIKey is PTAIPRNVZXQBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3.C8H18/c1-8(11-7-6-10)9(2,3)12(4)5;1-3-5-7-8-6-4-2/h8,11H,6-7,10H2,1-5H3;3-8H2,1-2H3.
What are the key properties of 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane?
3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane has a molecular weight of 287.54 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;octane is sourced from PubChem (CID 18320903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).