5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine

C15H27N — CID 101438804

IUPAC5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine
SMILESC=CCCC(C#CCCCC)(CC)N(C)C
InChIInChI=1S/C15H27N/c1-6-9-11-12-14-15(8-3,16(4)5)13-10-7-2/h7H,2,6,8-11,13H2,1,3-5H3
InChIKeyGRGOZXFJGKVVNM-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.86
Rot. Bonds7

About 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine

5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine (PubChem CID 101438804) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine.

Molecular Properties

Compound Name5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine
PubChem CID101438804
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine
SMILESC=CCCC(C#CCCCC)(CC)N(C)C
InChIInChI=1S/C15H27N/c1-6-9-11-12-14-15(8-3,16(4)5)13-10-7-2/h7H,2,6,8-11,13H2,1,3-5H3
InChIKeyGRGOZXFJGKVVNM-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine?
The IUPAC name of 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine (CID 101438804) is 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine.
What is the SMILES notation for 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine?
The canonical SMILES for 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine is C=CCCC(C#CCCCC)(CC)N(C)C.
What is the InChIKey of 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine?
The InChIKey is GRGOZXFJGKVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-9-11-12-14-15(8-3,16(4)5)13-10-7-2/h7H,2,6,8-11,13H2,1,3-5H3.
What are the key properties of 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine?
5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine has a molecular weight of 221.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethylundec-1-en-6-yn-5-amine is sourced from PubChem (CID 101438804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).