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

C17H31N3 — CID 79509216

IUPAC1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
SMILESNC1=NCC2(CCCCCCCCCCC2)N1C1CC1
InChIInChI=1S/C17H31N3/c18-16-19-14-17(20(16)15-10-11-15)12-8-6-4-2-1-3-5-7-9-13-17/h15H,1-14H2,(H2,18,19)
InChIKeyLYJDXWZRNABBQE-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.82
Rot. Bonds1

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

1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine (PubChem CID 79509216) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
PubChem CID79509216
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
SMILESNC1=NCC2(CCCCCCCCCCC2)N1C1CC1
InChIInChI=1S/C17H31N3/c18-16-19-14-17(20(16)15-10-11-15)12-8-6-4-2-1-3-5-7-9-13-17/h15H,1-14H2,(H2,18,19)
InChIKeyLYJDXWZRNABBQE-UHFFFAOYSA-N
XLogP3.82
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The IUPAC name of 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine (CID 79509216) is 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The canonical SMILES for 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine is NC1=NCC2(CCCCCCCCCCC2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The InChIKey is LYJDXWZRNABBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c18-16-19-14-17(20(16)15-10-11-15)12-8-6-4-2-1-3-5-7-9-13-17/h15H,1-14H2,(H2,18,19).
What are the key properties of 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine is sourced from PubChem (CID 79509216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).