1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine

C17H31N3 — CID 79496903

IUPAC1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCCCCCCCCC2
InChIInChI=1S/C17H31N3/c1-2-14-20-16(18)19-15-17(20)12-10-8-6-4-3-5-7-9-11-13-17/h2H,1,3-15H2,(H2,18,19)
InChIKeyCPZCLMCBFKDQOW-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.85
Rot. Bonds2

About 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine

1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine (PubChem CID 79496903) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
PubChem CID79496903
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCCCCCCCCCC2
InChIInChI=1S/C17H31N3/c1-2-14-20-16(18)19-15-17(20)12-10-8-6-4-3-5-7-9-11-13-17/h2H,1,3-15H2,(H2,18,19)
InChIKeyCPZCLMCBFKDQOW-UHFFFAOYSA-N
XLogP3.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
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 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The IUPAC name of 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine (CID 79496903) is 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine.
What is the SMILES notation for 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The canonical SMILES for 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine is C=CCN1C(N)=NCC12CCCCCCCCCCC2.
What is the InChIKey of 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The InChIKey is CPZCLMCBFKDQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-14-20-16(18)19-15-17(20)12-10-8-6-4-3-5-7-9-11-13-17/h2H,1,3-15H2,(H2,18,19).
What are the key properties of 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine is sourced from PubChem (CID 79496903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).