4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine

C31H62N6 — CID 139572959

IUPAC4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine
SMILESCC(CCC(N)C1CCN(C(C)CC2CC3(CCNC3)CN2C(C)C)CC1)N1CCC(C(C)(C)N)CC1
InChIInChI=1S/C31H62N6/c1-23(2)37-22-31(13-14-34-21-31)20-28(37)19-25(4)36-15-9-26(10-16-36)29(32)8-7-24(3)35-17-11-27(12-18-35)30(5,6)33/h23-29,34H,7-22,32-33H2,1-6H3
InChIKeyXBNFOIYBJROWQK-UHFFFAOYSA-N
MW518.88 g/mol
LogP3.88
Rot. Bonds10

About 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine

4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine (PubChem CID 139572959) has the molecular formula C31H62N6 and a molecular weight of 518.88 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine
PubChem CID139572959
Molecular FormulaC31H62N6
Molecular Weight518.88 g/mol
Exact Mass518.50
IUPAC Name4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine
SMILESCC(CCC(N)C1CCN(C(C)CC2CC3(CCNC3)CN2C(C)C)CC1)N1CCC(C(C)(C)N)CC1
InChIInChI=1S/C31H62N6/c1-23(2)37-22-31(13-14-34-21-31)20-28(37)19-25(4)36-15-9-26(10-16-36)29(32)8-7-24(3)35-17-11-27(12-18-35)30(5,6)33/h23-29,34H,7-22,32-33H2,1-6H3
InChIKeyXBNFOIYBJROWQK-UHFFFAOYSA-N
XLogP3.88
TPSA73.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.88
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine?
The IUPAC name of 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine (CID 139572959) is 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine.
What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine?
The canonical SMILES for 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine is CC(CCC(N)C1CCN(C(C)CC2CC3(CCNC3)CN2C(C)C)CC1)N1CCC(C(C)(C)N)CC1.
What is the InChIKey of 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine?
The InChIKey is XBNFOIYBJROWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N6/c1-23(2)37-22-31(13-14-34-21-31)20-28(37)19-25(4)36-15-9-26(10-16-36)29(32)8-7-24(3)35-17-11-27(12-18-35)30(5,6)33/h23-29,34H,7-22,32-33H2,1-6H3.
What are the key properties of 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine?
4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine has a molecular weight of 518.88 g/mol, XLogP of 3.88, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine is sourced from PubChem (CID 139572959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).