N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid

C17H37N3O2 — CID 162263600

IUPACN,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
SMILESCCCCCCCCCCN(C)C.O=C(O)N1CCNCC1
InChIInChI=1S/C12H27N.C5H10N2O2/c1-4-5-6-7-8-9-10-11-12-13(2)3;8-5(9)7-3-1-6-2-4-7/h4-12H2,1-3H3;6H,1-4H2,(H,8,9)
InChIKeyZZPBQRONSFBWMT-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.26
Rot. Bonds9

About N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid

N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid (PubChem CID 162263600) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid.

Molecular Properties

Compound NameN,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
PubChem CID162263600
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC NameN,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
SMILESCCCCCCCCCCN(C)C.O=C(O)N1CCNCC1
InChIInChI=1S/C12H27N.C5H10N2O2/c1-4-5-6-7-8-9-10-11-12-13(2)3;8-5(9)7-3-1-6-2-4-7/h4-12H2,1-3H3;6H,1-4H2,(H,8,9)
InChIKeyZZPBQRONSFBWMT-UHFFFAOYSA-N
XLogP3.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid?
The IUPAC name of N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid (CID 162263600) is N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid.
What is the SMILES notation for N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid?
The canonical SMILES for N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid is CCCCCCCCCCN(C)C.O=C(O)N1CCNCC1.
What is the InChIKey of N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid?
The InChIKey is ZZPBQRONSFBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C5H10N2O2/c1-4-5-6-7-8-9-10-11-12-13(2)3;8-5(9)7-3-1-6-2-4-7/h4-12H2,1-3H3;6H,1-4H2,(H,8,9).
What are the key properties of N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid?
N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid has a molecular weight of 315.50 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid is sourced from PubChem (CID 162263600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).