6-ethylundecan-6-amine

C13H29N — CID 173250227

IUPAC6-ethylundecan-6-amine
SMILESCCCCCC(N)(CC)CCCCC
InChIInChI=1S/C13H29N/c1-4-7-9-11-13(14,6-3)12-10-8-5-2/h4-12,14H2,1-3H3
InChIKeyGXRXNWYDSUEDEJ-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.25
Rot. Bonds9

About 6-ethylundecan-6-amine

6-ethylundecan-6-amine (PubChem CID 173250227) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 6-ethylundecan-6-amine.

Molecular Properties

Compound Name6-ethylundecan-6-amine
PubChem CID173250227
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name6-ethylundecan-6-amine
SMILESCCCCCC(N)(CC)CCCCC
InChIInChI=1S/C13H29N/c1-4-7-9-11-13(14,6-3)12-10-8-5-2/h4-12,14H2,1-3H3
InChIKeyGXRXNWYDSUEDEJ-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyloctan-3-amine
CID 19350108
3-ethylnonadecan-3-amine
CID 19028625
3-ethyloctane-1,3-diamine
CID 91122286
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
5-ethylnonan-5-amine;hydrochloride
CID 174766496
11-decylhenicosan-11-amine
CID 19847882
3-ethylheptan-3-amine
CID 12708037
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
5-butylhexadecan-5-amine
CID 22244897
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584

Frequently Asked Questions

What is the IUPAC name of 6-ethylundecan-6-amine?
The IUPAC name of 6-ethylundecan-6-amine (CID 173250227) is 6-ethylundecan-6-amine.
What is the SMILES notation for 6-ethylundecan-6-amine?
The canonical SMILES for 6-ethylundecan-6-amine is CCCCCC(N)(CC)CCCCC.
What is the InChIKey of 6-ethylundecan-6-amine?
The InChIKey is GXRXNWYDSUEDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-4-7-9-11-13(14,6-3)12-10-8-5-2/h4-12,14H2,1-3H3.
What are the key properties of 6-ethylundecan-6-amine?
6-ethylundecan-6-amine has a molecular weight of 199.38 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylundecan-6-amine is sourced from PubChem (CID 173250227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).