4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine

C33H65N3 — CID 130434555

IUPAC4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(C(C)CCC(C)C2CCN(C(C)CC3CC(C(C)C)CCN3C(C)C)C2)CC1
InChIInChI=1S/C33H65N3/c1-23(2)30-17-19-36(25(5)6)33(21-30)20-28(9)35-18-16-31(22-35)27(8)11-10-26(7)29-12-14-32(15-13-29)34-24(3)4/h23-34H,10-22H2,1-9H3
InChIKeyRULPWJIPBLTSHO-UHFFFAOYSA-N
MW503.90 g/mol
LogP7.84
Rot. Bonds12

About 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine

4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine (PubChem CID 130434555) has the molecular formula C33H65N3 and a molecular weight of 503.90 g/mol. Its IUPAC name is 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine
PubChem CID130434555
Molecular FormulaC33H65N3
Molecular Weight503.90 g/mol
Exact Mass503.52
IUPAC Name4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(C(C)CCC(C)C2CCN(C(C)CC3CC(C(C)C)CCN3C(C)C)C2)CC1
InChIInChI=1S/C33H65N3/c1-23(2)30-17-19-36(25(5)6)33(21-30)20-28(9)35-18-16-31(22-35)27(8)11-10-26(7)29-12-14-32(15-13-29)34-24(3)4/h23-34H,10-22H2,1-9H3
InChIKeyRULPWJIPBLTSHO-UHFFFAOYSA-N
XLogP7.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.90
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine (CID 130434555) is 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCC(C(C)CCC(C)C2CCN(C(C)CC3CC(C(C)C)CCN3C(C)C)C2)CC1.
What is the InChIKey of 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is RULPWJIPBLTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65N3/c1-23(2)30-17-19-36(25(5)6)33(21-30)20-28(9)35-18-16-31(22-35)27(8)11-10-26(7)29-12-14-32(15-13-29)34-24(3)4/h23-34H,10-22H2,1-9H3.
What are the key properties of 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine?
4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 503.90 g/mol, XLogP of 7.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[1-[1,4-di(propan-2-yl)piperidin-2-yl]propan-2-yl]pyrrolidin-3-yl]hexan-2-yl]-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 130434555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).