(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

C17H30N2O — CID 62930739

IUPAC(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESNC1(C(=O)N2CCC3(CCCCC3)CC2)CCCCC1
InChIInChI=1S/C17H30N2O/c18-17(9-5-2-6-10-17)15(20)19-13-11-16(12-14-19)7-3-1-4-8-16/h1-14,18H2
InChIKeyOHEOIMLFEPNKMA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.22
Rot. Bonds1

About (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (PubChem CID 62930739) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
PubChem CID62930739
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESNC1(C(=O)N2CCC3(CCCCC3)CC2)CCCCC1
InChIInChI=1S/C17H30N2O/c18-17(9-5-2-6-10-17)15(20)19-13-11-16(12-14-19)7-3-1-4-8-16/h1-14,18H2
InChIKeyOHEOIMLFEPNKMA-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (CID 62930739) is (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is NC1(C(=O)N2CCC3(CCCCC3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is OHEOIMLFEPNKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c18-17(9-5-2-6-10-17)15(20)19-13-11-16(12-14-19)7-3-1-4-8-16/h1-14,18H2.
What are the key properties of (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 62930739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).