2-ethylundecane-1,11-diamine

C13H30N2 — CID 118354607

IUPAC2-ethylundecane-1,11-diamine
SMILESCCC(CN)CCCCCCCCCN
InChIInChI=1S/C13H30N2/c1-2-13(12-15)10-8-6-4-3-5-7-9-11-14/h13H,2-12,14-15H2,1H3
InChIKeyRQELUPKCGXAXFD-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.05
Rot. Bonds11

About 2-ethylundecane-1,11-diamine

2-ethylundecane-1,11-diamine (PubChem CID 118354607) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-ethylundecane-1,11-diamine.

Molecular Properties

Compound Name2-ethylundecane-1,11-diamine
PubChem CID118354607
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-ethylundecane-1,11-diamine
SMILESCCC(CN)CCCCCCCCCN
InChIInChI=1S/C13H30N2/c1-2-13(12-15)10-8-6-4-3-5-7-9-11-14/h13H,2-12,14-15H2,1H3
InChIKeyRQELUPKCGXAXFD-UHFFFAOYSA-N
XLogP3.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.05
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

12-ethyltetradecan-1-amine
CID 87456130
(2S)-2-ethylhexan-1-amine
CID 6999997
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
2-ethylhexan-1-amine;hydrate
CID 173045208
5-hexyldodecan-1-amine
CID 129015386
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
7-ethyl-9-methylsulfanylnonan-1-amine
CID 153391271
(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
(3R)-3-ethylnonan-1-amine
CID 163925868
3-(6-ethyloctoxy)propan-1-amine
CID 174834787

Frequently Asked Questions

What is the IUPAC name of 2-ethylundecane-1,11-diamine?
The IUPAC name of 2-ethylundecane-1,11-diamine (CID 118354607) is 2-ethylundecane-1,11-diamine.
What is the SMILES notation for 2-ethylundecane-1,11-diamine?
The canonical SMILES for 2-ethylundecane-1,11-diamine is CCC(CN)CCCCCCCCCN.
What is the InChIKey of 2-ethylundecane-1,11-diamine?
The InChIKey is RQELUPKCGXAXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-2-13(12-15)10-8-6-4-3-5-7-9-11-14/h13H,2-12,14-15H2,1H3.
What are the key properties of 2-ethylundecane-1,11-diamine?
2-ethylundecane-1,11-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylundecane-1,11-diamine is sourced from PubChem (CID 118354607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).