undecane-1,10-diamine

C11H26N2 — CID 140782210

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

About undecane-1,10-diamine

undecane-1,10-diamine (PubChem CID 140782210) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is undecane-1,10-diamine.

Molecular Properties

Compound Nameundecane-1,10-diamine
PubChem CID140782210
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameundecane-1,10-diamine
SMILESCC(N)CCCCCCCCCN
InChIInChI=1S/C11H26N2/c1-11(13)9-7-5-3-2-4-6-8-10-12/h11H,2-10,12-13H2,1H3
InChIKeyTVVCBRPXSURGMP-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

(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
dodecan-1-amine;dodecan-2-amine
CID 88815564
docosane-2,21-diamine
CID 150079956
36-methylheptatriacontan-1-amine
CID 134324173
butylboronic acid;(6S)-heptane-1,6-diamine
CID 145219482
2-methyldecane-1,1,10-triamine
CID 175230718
pentacosane-1,13,25-triamine
CID 174653759
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
(2S)-tetradecan-2-amine
CID 25021238

Frequently Asked Questions

What is the IUPAC name of undecane-1,10-diamine?
The IUPAC name of undecane-1,10-diamine (CID 140782210) is undecane-1,10-diamine.
What is the SMILES notation for undecane-1,10-diamine?
The canonical SMILES for undecane-1,10-diamine is CC(N)CCCCCCCCCN.
What is the InChIKey of undecane-1,10-diamine?
The InChIKey is TVVCBRPXSURGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-11(13)9-7-5-3-2-4-6-8-10-12/h11H,2-10,12-13H2,1H3.
What are the key properties of undecane-1,10-diamine?
undecane-1,10-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-1,10-diamine is sourced from PubChem (CID 140782210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).