undecane-1,6-diamine

C11H26N2 — CID 18419788

IUPACundecane-1,6-diamine
SMILESCCCCCC(N)CCCCCN
InChIInChI=1S/C11H26N2/c1-2-3-5-8-11(13)9-6-4-7-10-12/h11H,2-10,12-13H2,1H3
InChIKeyVXJJFLXIEMNVHK-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.41
Rot. Bonds9

About undecane-1,6-diamine

undecane-1,6-diamine (PubChem CID 18419788) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is undecane-1,6-diamine.

Molecular Properties

Compound Nameundecane-1,6-diamine
PubChem CID18419788
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameundecane-1,6-diamine
SMILESCCCCCC(N)CCCCCN
InChIInChI=1S/C11H26N2/c1-2-3-5-8-11(13)9-6-4-7-10-12/h11H,2-10,12-13H2,1H3
InChIKeyVXJJFLXIEMNVHK-UHFFFAOYSA-N
XLogP2.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
pentacosane-1,13,25-triamine
CID 174653759
dodecan-1-amine;dodecan-2-amine
CID 88815564
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716

Frequently Asked Questions

What is the IUPAC name of undecane-1,6-diamine?
The IUPAC name of undecane-1,6-diamine (CID 18419788) is undecane-1,6-diamine.
What is the SMILES notation for undecane-1,6-diamine?
The canonical SMILES for undecane-1,6-diamine is CCCCCC(N)CCCCCN.
What is the InChIKey of undecane-1,6-diamine?
The InChIKey is VXJJFLXIEMNVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-2-3-5-8-11(13)9-6-4-7-10-12/h11H,2-10,12-13H2,1H3.
What are the key properties of undecane-1,6-diamine?
undecane-1,6-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,6-diamine is sourced from PubChem (CID 18419788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).