9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

C19H30N4 — CID 45193840

IUPAC9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1
InChIInChI=1S/C19H30N4/c1-16-20-10-18(11-21-16)13-23-9-7-19(15-23)6-3-8-22(14-19)12-17-4-2-5-17/h10-11,17H,2-9,12-15H2,1H3
InChIKeyMYDIKIHMYNZAJT-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.87
Rot. Bonds4

About 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45193840) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45193840
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1
InChIInChI=1S/C19H30N4/c1-16-20-10-18(11-21-16)13-23-9-7-19(15-23)6-3-8-22(14-19)12-17-4-2-5-17/h10-11,17H,2-9,12-15H2,1H3
InChIKeyMYDIKIHMYNZAJT-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45193840) is 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is Cc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1.
What is the InChIKey of 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is MYDIKIHMYNZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-16-20-10-18(11-21-16)13-23-9-7-19(15-23)6-3-8-22(14-19)12-17-4-2-5-17/h10-11,17H,2-9,12-15H2,1H3.
What are the key properties of 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 314.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-2-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45193840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).