9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane

C20H32N4 — CID 45221415

IUPAC9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1nc(C)c(CN2CCC3(CCCN(CC4CC4)C3)C2)nc1C
InChIInChI=1S/C20H32N4/c1-15-16(2)22-19(17(3)21-15)12-24-10-8-20(14-24)7-4-9-23(13-20)11-18-5-6-18/h18H,4-14H2,1-3H3
InChIKeyQLCQCGPJPKFWKY-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.10
Rot. Bonds4

About 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45221415) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45221415
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1nc(C)c(CN2CCC3(CCCN(CC4CC4)C3)C2)nc1C
InChIInChI=1S/C20H32N4/c1-15-16(2)22-19(17(3)21-15)12-24-10-8-20(14-24)7-4-9-23(13-20)11-18-5-6-18/h18H,4-14H2,1-3H3
InChIKeyQLCQCGPJPKFWKY-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 126425953
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 70711055
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45250023
5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137151169
2-(cyclopropylmethyl)-2-azaspiro[3.4]octane
CID 130694661
9-(cyclopropylmethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845215
9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460
3-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 126424510

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45221415) is 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane is Cc1nc(C)c(CN2CCC3(CCCN(CC4CC4)C3)C2)nc1C.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is QLCQCGPJPKFWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-15-16(2)22-19(17(3)21-15)12-24-10-8-20(14-24)7-4-9-23(13-20)11-18-5-6-18/h18H,4-14H2,1-3H3.
What are the key properties of 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 328.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45221415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).