N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine

C17H29NO — CID 79895896

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1=CCC(CNC2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H29NO/c1-3-7-15(8-4-1)14-18-16-9-12-19-17(13-16)10-5-2-6-11-17/h1,3,15-16,18H,2,4-14H2
InChIKeyXHFRNJKUDGFVGC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.81
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895896) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895896
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1=CCC(CNC2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H29NO/c1-3-7-15(8-4-1)14-18-16-9-12-19-17(13-16)10-5-2-6-11-17/h1,3,15-16,18H,2,4-14H2
InChIKeyXHFRNJKUDGFVGC-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79895896) is N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine is C1=CCC(CNC2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is XHFRNJKUDGFVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-7-15(8-4-1)14-18-16-9-12-19-17(13-16)10-5-2-6-11-17/h1,3,15-16,18H,2,4-14H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 263.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).