N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine

C31H57N3O — CID 68727055

IUPACN,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine
SMILESCN(C)C1(C(CC2(N3CCCCC3)CCCC2)CC2(N3CCOCC3)CCCCC2)CCCCC1
InChIInChI=1S/C31H57N3O/c1-32(2)31(18-8-4-9-19-31)28(26-29(16-10-11-17-29)33-20-12-5-13-21-33)27-30(14-6-3-7-15-30)34-22-24-35-25-23-34/h28H,3-27H2,1-2H3
InChIKeyJYFWCZAXAXDXJZ-UHFFFAOYSA-N
MW487.82 g/mol
LogP6.48
Rot. Bonds8

About N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine

N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine (PubChem CID 68727055) has the molecular formula C31H57N3O and a molecular weight of 487.82 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine
PubChem CID68727055
Molecular FormulaC31H57N3O
Molecular Weight487.82 g/mol
Exact Mass487.45
IUPAC NameN,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine
SMILESCN(C)C1(C(CC2(N3CCCCC3)CCCC2)CC2(N3CCOCC3)CCCCC2)CCCCC1
InChIInChI=1S/C31H57N3O/c1-32(2)31(18-8-4-9-19-31)28(26-29(16-10-11-17-29)33-20-12-5-13-21-33)27-30(14-6-3-7-15-30)34-22-24-35-25-23-34/h28H,3-27H2,1-2H3
InChIKeyJYFWCZAXAXDXJZ-UHFFFAOYSA-N
XLogP6.48
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.82
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine (CID 68727055) is N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine is CN(C)C1(C(CC2(N3CCCCC3)CCCC2)CC2(N3CCOCC3)CCCCC2)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is JYFWCZAXAXDXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N3O/c1-32(2)31(18-8-4-9-19-31)28(26-29(16-10-11-17-29)33-20-12-5-13-21-33)27-30(14-6-3-7-15-30)34-22-24-35-25-23-34/h28H,3-27H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine?
N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 487.82 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(1-morpholin-4-ylcyclohexyl)-3-(1-piperidin-1-ylcyclopentyl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 68727055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).