1,13-dichlorotridecane-3,11-diamine

C13H28Cl2N2 — CID 139622947

IUPAC1,13-dichlorotridecane-3,11-diamine
SMILESNC(CCCl)CCCCCCCC(N)CCCl
InChIInChI=1S/C13H28Cl2N2/c14-10-8-12(16)6-4-2-1-3-5-7-13(17)9-11-15/h12-13H,1-11,16-17H2
InChIKeySPDQEKZIKVLFRJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.63
Rot. Bonds12

About 1,13-dichlorotridecane-3,11-diamine

1,13-dichlorotridecane-3,11-diamine (PubChem CID 139622947) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1,13-dichlorotridecane-3,11-diamine.

Molecular Properties

Compound Name1,13-dichlorotridecane-3,11-diamine
PubChem CID139622947
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC Name1,13-dichlorotridecane-3,11-diamine
SMILESNC(CCCl)CCCCCCCC(N)CCCl
InChIInChI=1S/C13H28Cl2N2/c14-10-8-12(16)6-4-2-1-3-5-7-13(17)9-11-15/h12-13H,1-11,16-17H2
InChIKeySPDQEKZIKVLFRJ-UHFFFAOYSA-N
XLogP3.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-chlorooctan-3-amine
CID 102206796
1,5-dichloropentan-3-amine;hydrochloride
CID 23615808
pentacosane-1,13,25-triamine
CID 174653759
tetradecane-3,11-diamine
CID 170279817
2,34-dimethylpentatriacontan-18-amine
CID 141007495
pentacosan-7-amine
CID 88938409
octane-1,4,8-triamine
CID 18544198
icosane-5,10,16-triamine
CID 88870264
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
4-aminononane-1,9-diol
CID 54004768
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of 1,13-dichlorotridecane-3,11-diamine?
The IUPAC name of 1,13-dichlorotridecane-3,11-diamine (CID 139622947) is 1,13-dichlorotridecane-3,11-diamine.
What is the SMILES notation for 1,13-dichlorotridecane-3,11-diamine?
The canonical SMILES for 1,13-dichlorotridecane-3,11-diamine is NC(CCCl)CCCCCCCC(N)CCCl.
What is the InChIKey of 1,13-dichlorotridecane-3,11-diamine?
The InChIKey is SPDQEKZIKVLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28Cl2N2/c14-10-8-12(16)6-4-2-1-3-5-7-13(17)9-11-15/h12-13H,1-11,16-17H2.
What are the key properties of 1,13-dichlorotridecane-3,11-diamine?
1,13-dichlorotridecane-3,11-diamine has a molecular weight of 283.29 g/mol, XLogP of 3.63, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-dichlorotridecane-3,11-diamine is sourced from PubChem (CID 139622947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).