cyclodecane-1,1,2-triamine

C10H23N3 — CID 67062276

IUPACcyclodecane-1,1,2-triamine
SMILESNC1CCCCCCCCC1(N)N
InChIInChI=1S/C10H23N3/c11-9-7-5-3-1-2-4-6-8-10(9,12)13/h9H,1-8,11-13H2
InChIKeyPLICWHIAUXMGJF-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.06
Rot. Bonds

About cyclodecane-1,1,2-triamine

cyclodecane-1,1,2-triamine (PubChem CID 67062276) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is cyclodecane-1,1,2-triamine.

Molecular Properties

Compound Namecyclodecane-1,1,2-triamine
PubChem CID67062276
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Namecyclodecane-1,1,2-triamine
SMILESNC1CCCCCCCCC1(N)N
InChIInChI=1S/C10H23N3/c11-9-7-5-3-1-2-4-6-8-10(9,12)13/h9H,1-8,11-13H2
InChIKeyPLICWHIAUXMGJF-UHFFFAOYSA-N
XLogP1.06
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.06
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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Related Compounds

Laurylpropylenediamine
CID 151516
Cyclodecanamine
CID 573577
Cyclodecanamine hydrochloride
CID 121597016
Dodecane-1,2-diamine
CID 517636
1,6,11-Undecanetriamine
CID 117815
1,2-Diaminocyclooctane
CID 431003
Octane-1,2-diamine
CID 10942567
(4S,5S)-octane-4,5-diamine
CID 13138965
2-Dodecylethane-1,2-diamine
CID 15673760
Tetramethyleneethylenediamine
CID 19378223
2,3-Diamino-tridecan
CID 19427438
cis-1,5,9-Triaminocyclododecane
CID 20236098

Frequently Asked Questions

What is the IUPAC name of cyclodecane-1,1,2-triamine?
The IUPAC name of cyclodecane-1,1,2-triamine (CID 67062276) is cyclodecane-1,1,2-triamine.
What is the SMILES notation for cyclodecane-1,1,2-triamine?
The canonical SMILES for cyclodecane-1,1,2-triamine is NC1CCCCCCCCC1(N)N.
What is the InChIKey of cyclodecane-1,1,2-triamine?
The InChIKey is PLICWHIAUXMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c11-9-7-5-3-1-2-4-6-8-10(9,12)13/h9H,1-8,11-13H2.
What are the key properties of cyclodecane-1,1,2-triamine?
cyclodecane-1,1,2-triamine has a molecular weight of 185.31 g/mol, XLogP of 1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecane-1,1,2-triamine is sourced from PubChem (CID 67062276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).