1-N,1-N',1-N"-triethylpentane-1,1,1-triamine

C11H27N3 — CID 90726345

IUPAC1-N,1-N',1-N"-triethylpentane-1,1,1-triamine
SMILESCCCCC(NCC)(NCC)NCC
InChIInChI=1S/C11H27N3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h12-14H,5-10H2,1-4H3
InChIKeyHTTYHVYTNLFPJI-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.66
Rot. Bonds9

About 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine

1-N,1-N',1-N"-triethylpentane-1,1,1-triamine (PubChem CID 90726345) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N',1-N"-triethylpentane-1,1,1-triamine
PubChem CID90726345
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name1-N,1-N',1-N"-triethylpentane-1,1,1-triamine
SMILESCCCCC(NCC)(NCC)NCC
InChIInChI=1S/C11H27N3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h12-14H,5-10H2,1-4H3
InChIKeyHTTYHVYTNLFPJI-UHFFFAOYSA-N
XLogP1.66
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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',1-N"-triethylpentane-1,1,1-triamine?
The IUPAC name of 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine (CID 90726345) is 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine.
What is the SMILES notation for 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine?
The canonical SMILES for 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine is CCCCC(NCC)(NCC)NCC.
What is the InChIKey of 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine?
The InChIKey is HTTYHVYTNLFPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h12-14H,5-10H2,1-4H3.
What are the key properties of 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine?
1-N,1-N',1-N"-triethylpentane-1,1,1-triamine has a molecular weight of 201.36 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',1-N"-triethylpentane-1,1,1-triamine is sourced from PubChem (CID 90726345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).