(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone

C16H27N5O — CID 118771549

IUPAC(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone
SMILESCN1CCCN(C)C2(CCN(C(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C16H27N5O/c1-18-7-4-8-20(3)16(12-18)5-9-21(10-6-16)15(22)14-11-19(2)13-17-14/h11,13H,4-10,12H2,1-3H3
InChIKeyJJDHLWYRBFTIMK-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.66
Rot. Bonds1

About (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 118771549) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID118771549
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone
SMILESCN1CCCN(C)C2(CCN(C(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C16H27N5O/c1-18-7-4-8-20(3)16(12-18)5-9-21(10-6-16)15(22)14-11-19(2)13-17-14/h11,13H,4-10,12H2,1-3H3
InChIKeyJJDHLWYRBFTIMK-UHFFFAOYSA-N
XLogP0.66
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone (CID 118771549) is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone is CN1CCCN(C)C2(CCN(C(=O)c3cn(C)cn3)CC2)C1.
What is the InChIKey of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is JJDHLWYRBFTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-18-7-4-8-20(3)16(12-18)5-9-21(10-6-16)15(22)14-11-19(2)13-17-14/h11,13H,4-10,12H2,1-3H3.
What are the key properties of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone?
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 305.43 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 118771549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).