N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine

C17H33N3 — CID 167091216

IUPACN,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine
SMILESCN1CCC2(CCC(N(C)C3CCNCC3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-19-13-9-17(10-14-19)7-3-15(4-8-17)20(2)16-5-11-18-12-6-16/h15-16,18H,3-14H2,1-2H3
InChIKeyKDVDEHKNCBVKEK-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds2

About N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine

N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine (PubChem CID 167091216) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine
PubChem CID167091216
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine
SMILESCN1CCC2(CCC(N(C)C3CCNCC3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-19-13-9-17(10-14-19)7-3-15(4-8-17)20(2)16-5-11-18-12-6-16/h15-16,18H,3-14H2,1-2H3
InChIKeyKDVDEHKNCBVKEK-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine (CID 167091216) is N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine is CN1CCC2(CCC(N(C)C3CCNCC3)CC2)CC1.
What is the InChIKey of N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is KDVDEHKNCBVKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-19-13-9-17(10-14-19)7-3-15(4-8-17)20(2)16-5-11-18-12-6-16/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine?
N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 167091216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).