(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride

C17H31ClN2O — CID 119324320

IUPAC(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCCC3(CCCCC3)C2)CCCCC1
InChIInChI=1S/C17H30N2O.ClH/c18-17(11-5-2-6-12-17)15(20)19-13-7-10-16(14-19)8-3-1-4-9-16;/h1-14,18H2;1H
InChIKeyKKZJVKDGJBJCBX-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.64
Rot. Bonds1

About (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride

(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride (PubChem CID 119324320) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride
PubChem CID119324320
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCCC3(CCCCC3)C2)CCCCC1
InChIInChI=1S/C17H30N2O.ClH/c18-17(11-5-2-6-12-17)15(20)19-13-7-10-16(14-19)8-3-1-4-9-16;/h1-14,18H2;1H
InChIKeyKKZJVKDGJBJCBX-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride (CID 119324320) is (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride is Cl.NC1(C(=O)N2CCCC3(CCCCC3)C2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride?
The InChIKey is KKZJVKDGJBJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c18-17(11-5-2-6-12-17)15(20)19-13-7-10-16(14-19)8-3-1-4-9-16;/h1-14,18H2;1H.
What are the key properties of (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride?
(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119324320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).