[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine

C18H35N3 — CID 114818266

IUPAC[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
SMILESCC1CN(C2(CN)CCC3(CCCC3)CC2)CC(C)N1C
InChIInChI=1S/C18H35N3/c1-15-12-21(13-16(2)20(15)3)18(14-19)10-8-17(9-11-18)6-4-5-7-17/h15-16H,4-14,19H2,1-3H3
InChIKeyOVKJMNXYRHZNAP-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.84
Rot. Bonds2

About [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine

[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine (PubChem CID 114818266) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine.

Molecular Properties

Compound Name[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
PubChem CID114818266
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
SMILESCC1CN(C2(CN)CCC3(CCCC3)CC2)CC(C)N1C
InChIInChI=1S/C18H35N3/c1-15-12-21(13-16(2)20(15)3)18(14-19)10-8-17(9-11-18)6-4-5-7-17/h15-16H,4-14,19H2,1-3H3
InChIKeyOVKJMNXYRHZNAP-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
CID 114537563
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 114818220
[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 114537561
[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
CID 114537628
[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
CID 114818204
[3-(8-azaspiro[4.5]decan-8-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468505
[8-(2,3,5-trimethylpiperidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818269
[8-[4-(methoxymethyl)piperidin-1-yl]spiro[4.5]decan-8-yl]methanamine
CID 114818158
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopropyl]methanamine
CID 106661339
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872

Frequently Asked Questions

What is the IUPAC name of [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine?
The IUPAC name of [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine (CID 114818266) is [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine.
What is the SMILES notation for [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine?
The canonical SMILES for [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine is CC1CN(C2(CN)CCC3(CCCC3)CC2)CC(C)N1C.
What is the InChIKey of [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine?
The InChIKey is OVKJMNXYRHZNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15-12-21(13-16(2)20(15)3)18(14-19)10-8-17(9-11-18)6-4-5-7-17/h15-16H,4-14,19H2,1-3H3.
What are the key properties of [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine?
[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine is sourced from PubChem (CID 114818266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).