2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

C18H35N3 — CID 79843284

IUPAC2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCC(N3CCCCC3)C2)C1N
InChIInChI=1S/C18H35N3/c1-18(2)9-6-7-15(17(18)19)13-20-12-8-16(14-20)21-10-4-3-5-11-21/h15-17H,3-14,19H2,1-2H3
InChIKeyQCRFBILXYUNTKM-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.70
Rot. Bonds3

About 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 79843284) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID79843284
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCC(N3CCCCC3)C2)C1N
InChIInChI=1S/C18H35N3/c1-18(2)9-6-7-15(17(18)19)13-20-12-8-16(14-20)21-10-4-3-5-11-21/h15-17H,3-14,19H2,1-2H3
InChIKeyQCRFBILXYUNTKM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 79843284) is 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is CC1(C)CCCC(CN2CCC(N3CCCCC3)C2)C1N.
What is the InChIKey of 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is QCRFBILXYUNTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-18(2)9-6-7-15(17(18)19)13-20-12-8-16(14-20)21-10-4-3-5-11-21/h15-17H,3-14,19H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79843284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).