1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine

C15H36N4 — CID 87081663

IUPAC1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine
SMILESCCC(C)NC(C)C(N)(NC(C)CC)NC(C)CC
InChIInChI=1S/C15H36N4/c1-8-11(4)17-14(7)15(16,18-12(5)9-2)19-13(6)10-3/h11-14,17-19H,8-10,16H2,1-7H3
InChIKeyFTNKJXXJEJNRRK-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.15
Rot. Bonds10

About 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine

1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine (PubChem CID 87081663) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine
PubChem CID87081663
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC Name1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine
SMILESCCC(C)NC(C)C(N)(NC(C)CC)NC(C)CC
InChIInChI=1S/C15H36N4/c1-8-11(4)17-14(7)15(16,18-12(5)9-2)19-13(6)10-3/h11-14,17-19H,8-10,16H2,1-7H3
InChIKeyFTNKJXXJEJNRRK-UHFFFAOYSA-N
XLogP2.15
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine?
The IUPAC name of 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine (CID 87081663) is 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine?
The canonical SMILES for 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine is CCC(C)NC(C)C(N)(NC(C)CC)NC(C)CC.
What is the InChIKey of 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine?
The InChIKey is FTNKJXXJEJNRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-8-11(4)17-14(7)15(16,18-12(5)9-2)19-13(6)10-3/h11-14,17-19H,8-10,16H2,1-7H3.
What are the key properties of 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine?
1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine has a molecular weight of 272.48 g/mol, XLogP of 2.15, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N",2-N-tri(butan-2-yl)propane-1,1,1,2-tetramine is sourced from PubChem (CID 87081663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).