N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine

C17H31N5 — CID 97396895

IUPACN,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine
SMILESCN(C)CCN1CCCC12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C17H31N5/c1-19(2)13-14-22-9-4-5-17(22)6-10-21(11-7-17)15-16-18-8-12-20(16)3/h8,12H,4-7,9-11,13-15H2,1-3H3
InChIKeyDJKRWDYDTWFMBX-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.41
Rot. Bonds5

About N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine

N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine (PubChem CID 97396895) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine
PubChem CID97396895
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC NameN,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine
SMILESCN(C)CCN1CCCC12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C17H31N5/c1-19(2)13-14-22-9-4-5-17(22)6-10-21(11-7-17)15-16-18-8-12-20(16)3/h8,12H,4-7,9-11,13-15H2,1-3H3
InChIKeyDJKRWDYDTWFMBX-UHFFFAOYSA-N
XLogP1.41
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.41
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-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine (CID 97396895) is N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine is CN(C)CCN1CCCC12CCN(Cc1nccn1C)CC2.
What is the InChIKey of N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine?
The InChIKey is DJKRWDYDTWFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-19(2)13-14-22-9-4-5-17(22)6-10-21(11-7-17)15-16-18-8-12-20(16)3/h8,12H,4-7,9-11,13-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine?
N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine has a molecular weight of 305.47 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine is sourced from PubChem (CID 97396895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).