8-ethylundecan-1-amine

C13H29N — CID 22833454

IUPAC8-ethylundecan-1-amine
SMILESCCCC(CC)CCCCCCCN
InChIInChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3
InChIKeyKFBNTNYCQVDLBK-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.11
Rot. Bonds10

About 8-ethylundecan-1-amine

8-ethylundecan-1-amine (PubChem CID 22833454) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 8-ethylundecan-1-amine.

Molecular Properties

Compound Name8-ethylundecan-1-amine
PubChem CID22833454
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name8-ethylundecan-1-amine
SMILESCCCC(CC)CCCCCCCN
InChIInChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3
InChIKeyKFBNTNYCQVDLBK-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of 8-ethylundecan-1-amine?
The IUPAC name of 8-ethylundecan-1-amine (CID 22833454) is 8-ethylundecan-1-amine.
What is the SMILES notation for 8-ethylundecan-1-amine?
The canonical SMILES for 8-ethylundecan-1-amine is CCCC(CC)CCCCCCCN.
What is the InChIKey of 8-ethylundecan-1-amine?
The InChIKey is KFBNTNYCQVDLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 8-ethylundecan-1-amine?
8-ethylundecan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylundecan-1-amine is sourced from PubChem (CID 22833454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).