7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine

C18H37N3 — CID 57026119

IUPAC7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine
SMILESCC(C)(C)CC(C)(C)CC=CCC(N)CN1CCNCC1
InChIInChI=1S/C18H37N3/c1-17(2,3)15-18(4,5)9-7-6-8-16(19)14-21-12-10-20-11-13-21/h6-7,16,20H,8-15,19H2,1-5H3
InChIKeyYPOMHNHKXPOUDV-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.02
Rot. Bonds7

About 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine

7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine (PubChem CID 57026119) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine
PubChem CID57026119
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine
SMILESCC(C)(C)CC(C)(C)CC=CCC(N)CN1CCNCC1
InChIInChI=1S/C18H37N3/c1-17(2,3)15-18(4,5)9-7-6-8-16(19)14-21-12-10-20-11-13-21/h6-7,16,20H,8-15,19H2,1-5H3
InChIKeyYPOMHNHKXPOUDV-UHFFFAOYSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine?
The IUPAC name of 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine (CID 57026119) is 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine.
What is the SMILES notation for 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine?
The canonical SMILES for 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine is CC(C)(C)CC(C)(C)CC=CCC(N)CN1CCNCC1.
What is the InChIKey of 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine?
The InChIKey is YPOMHNHKXPOUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-17(2,3)15-18(4,5)9-7-6-8-16(19)14-21-12-10-20-11-13-21/h6-7,16,20H,8-15,19H2,1-5H3.
What are the key properties of 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine?
7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine has a molecular weight of 295.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-1-piperazin-1-yldec-4-en-2-amine is sourced from PubChem (CID 57026119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).