5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine

C23H43N3 — CID 139547630

IUPAC5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine
SMILESCC(CCC(C)N1CC=C(C(C)C)CC1)NC1CN(C(C)C)CC12CC2
InChIInChI=1S/C23H43N3/c1-17(2)21-9-13-25(14-10-21)20(6)8-7-19(5)24-22-15-26(18(3)4)16-23(22)11-12-23/h9,17-20,22,24H,7-8,10-16H2,1-6H3
InChIKeyQRPOEAADCMOERO-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.29
Rot. Bonds8

About 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine

5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine (PubChem CID 139547630) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine
PubChem CID139547630
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine
SMILESCC(CCC(C)N1CC=C(C(C)C)CC1)NC1CN(C(C)C)CC12CC2
InChIInChI=1S/C23H43N3/c1-17(2)21-9-13-25(14-10-21)20(6)8-7-19(5)24-22-15-26(18(3)4)16-23(22)11-12-23/h9,17-20,22,24H,7-8,10-16H2,1-6H3
InChIKeyQRPOEAADCMOERO-UHFFFAOYSA-N
XLogP4.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine (CID 139547630) is 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine is CC(CCC(C)N1CC=C(C(C)C)CC1)NC1CN(C(C)C)CC12CC2.
What is the InChIKey of 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is QRPOEAADCMOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-17(2)21-9-13-25(14-10-21)20(6)8-7-19(5)24-22-15-26(18(3)4)16-23(22)11-12-23/h9,17-20,22,24H,7-8,10-16H2,1-6H3.
What are the key properties of 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine?
5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 361.62 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 139547630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).