2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine

C18H35N3 — CID 79540645

IUPAC2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
SMILESCC(CN1CCCC1)NC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H35N3/c1-15(14-21-12-6-7-13-21)20-18-10-3-2-8-16(18)17-9-4-5-11-19-17/h15-20H,2-14H2,1H3
InChIKeySEPIJDRAWRYRBE-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.76
Rot. Bonds5

About 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine

2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 79540645) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID79540645
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
SMILESCC(CN1CCCC1)NC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H35N3/c1-15(14-21-12-6-7-13-21)20-18-10-3-2-8-16(18)17-9-4-5-11-19-17/h15-20H,2-14H2,1H3
InChIKeySEPIJDRAWRYRBE-UHFFFAOYSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine (CID 79540645) is 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine is CC(CN1CCCC1)NC1CCCCC1C1CCCCN1.
What is the InChIKey of 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is SEPIJDRAWRYRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15(14-21-12-6-7-13-21)20-18-10-3-2-8-16(18)17-9-4-5-11-19-17/h15-20H,2-14H2,1H3.
What are the key properties of 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine?
2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79540645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).