N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide

C17H34N4O — CID 141044111

IUPACN-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide
SMILESCCCCCCCCNC(=O)N1CCNCC12CCNCC2
InChIInChI=1S/C17H34N4O/c1-2-3-4-5-6-7-10-20-16(22)21-14-13-19-15-17(21)8-11-18-12-9-17/h18-19H,2-15H2,1H3,(H,20,22)
InChIKeyVXTIOFOHWDORHB-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.08
Rot. Bonds7

About N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide

N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide (PubChem CID 141044111) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide.

Molecular Properties

Compound NameN-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide
PubChem CID141044111
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide
SMILESCCCCCCCCNC(=O)N1CCNCC12CCNCC2
InChIInChI=1S/C17H34N4O/c1-2-3-4-5-6-7-10-20-16(22)21-14-13-19-15-17(21)8-11-18-12-9-17/h18-19H,2-15H2,1H3,(H,20,22)
InChIKeyVXTIOFOHWDORHB-UHFFFAOYSA-N
XLogP2.08
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.08
H-Bond Donors ≤ 53
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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CID 65460942
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CID 115567862
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CID 104598392
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
aziridine;octadecylcarbamic acid
CID 88639919
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
CID 150998309
6-decyl-6,9-diazaspiro[4.5]decane
CID 64844428
N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
CID 67309310
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
N-pentadecylpiperazin-1-amine
CID 11690308

Frequently Asked Questions

What is the IUPAC name of N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide?
The IUPAC name of N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide (CID 141044111) is N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide.
What is the SMILES notation for N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide?
The canonical SMILES for N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide is CCCCCCCCNC(=O)N1CCNCC12CCNCC2.
What is the InChIKey of N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide?
The InChIKey is VXTIOFOHWDORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-2-3-4-5-6-7-10-20-16(22)21-14-13-19-15-17(21)8-11-18-12-9-17/h18-19H,2-15H2,1H3,(H,20,22).
What are the key properties of N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide?
N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1,4,9-triazaspiro[5.5]undecane-1-carboxamide is sourced from PubChem (CID 141044111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).