N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine

C16H27N5 — CID 131642922

IUPACN,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine
SMILESCN(C)CCN1CCCC12CCCN(c1cnccn1)C2
InChIInChI=1S/C16H27N5/c1-19(2)11-12-21-10-4-6-16(21)5-3-9-20(14-16)15-13-17-7-8-18-15/h7-8,13H,3-6,9-12,14H2,1-2H3
InChIKeyFSZJYMLHFCDXNV-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.47
Rot. Bonds4

About N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine

N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine (PubChem CID 131642922) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine
PubChem CID131642922
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine
SMILESCN(C)CCN1CCCC12CCCN(c1cnccn1)C2
InChIInChI=1S/C16H27N5/c1-19(2)11-12-21-10-4-6-16(21)5-3-9-20(14-16)15-13-17-7-8-18-15/h7-8,13H,3-6,9-12,14H2,1-2H3
InChIKeyFSZJYMLHFCDXNV-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine (CID 131642922) is N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine is CN(C)CCN1CCCC12CCCN(c1cnccn1)C2.
What is the InChIKey of N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine?
The InChIKey is FSZJYMLHFCDXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-19(2)11-12-21-10-4-6-16(21)5-3-9-20(14-16)15-13-17-7-8-18-15/h7-8,13H,3-6,9-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine?
N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine has a molecular weight of 289.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(9-pyrazin-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethanamine is sourced from PubChem (CID 131642922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).