7-ethylundec-2-yn-6-amine

C13H25N — CID 105037082

IUPAC7-ethylundec-2-yn-6-amine
SMILESCC#CCCC(N)C(CC)CCCC
InChIInChI=1S/C13H25N/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h12-13H,5-6,8-11,14H2,1-3H3
InChIKeyJZKFJFJZNOBZJU-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.33
Rot. Bonds7

About 7-ethylundec-2-yn-6-amine

7-ethylundec-2-yn-6-amine (PubChem CID 105037082) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 7-ethylundec-2-yn-6-amine.

Molecular Properties

Compound Name7-ethylundec-2-yn-6-amine
PubChem CID105037082
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name7-ethylundec-2-yn-6-amine
SMILESCC#CCCC(N)C(CC)CCCC
InChIInChI=1S/C13H25N/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h12-13H,5-6,8-11,14H2,1-3H3
InChIKeyJZKFJFJZNOBZJU-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethylundec-2-yn-6-amine?
The IUPAC name of 7-ethylundec-2-yn-6-amine (CID 105037082) is 7-ethylundec-2-yn-6-amine.
What is the SMILES notation for 7-ethylundec-2-yn-6-amine?
The canonical SMILES for 7-ethylundec-2-yn-6-amine is CC#CCCC(N)C(CC)CCCC.
What is the InChIKey of 7-ethylundec-2-yn-6-amine?
The InChIKey is JZKFJFJZNOBZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h12-13H,5-6,8-11,14H2,1-3H3.
What are the key properties of 7-ethylundec-2-yn-6-amine?
7-ethylundec-2-yn-6-amine has a molecular weight of 195.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylundec-2-yn-6-amine is sourced from PubChem (CID 105037082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).