1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine

C18H35N3 — CID 114818204

IUPAC1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(C2(CN)CCC3(CCCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-20(2)16-6-5-13-21(14-16)18(15-19)11-9-17(10-12-18)7-3-4-8-17/h16H,3-15,19H2,1-2H3
InChIKeyBKOQFQRFCNMNPS-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.84
Rot. Bonds3

About 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine

1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 114818204) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID114818204
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(C2(CN)CCC3(CCCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-20(2)16-6-5-13-21(14-16)18(15-19)11-9-17(10-12-18)7-3-4-8-17/h16H,3-15,19H2,1-2H3
InChIKeyBKOQFQRFCNMNPS-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 114818220
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 65088382
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
CID 114080155
[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818266
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[8-[4-(methoxymethyl)piperidin-1-yl]spiro[4.5]decan-8-yl]methanamine
CID 114818158

Frequently Asked Questions

What is the IUPAC name of 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine (CID 114818204) is 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(C2(CN)CCC3(CCCC3)CC2)C1.
What is the InChIKey of 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is BKOQFQRFCNMNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-20(2)16-6-5-13-21(14-16)18(15-19)11-9-17(10-12-18)7-3-4-8-17/h16H,3-15,19H2,1-2H3.
What are the key properties of 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine?
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 293.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 114818204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).