2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine

C20H39N5 — CID 155392391

IUPAC2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine
SMILESCC(C)(C)N1CC(N2CC(NCC(C)(C)N3CC4(CC(N)C4)C3)C2)C1
InChIInChI=1S/C20H39N5/c1-18(2,3)24-10-17(11-24)23-8-16(9-23)22-12-19(4,5)25-13-20(14-25)6-15(21)7-20/h15-17,22H,6-14,21H2,1-5H3
InChIKeyZWSDNNWBFZQLAK-UHFFFAOYSA-N
MW349.57 g/mol
LogP0.94
Rot. Bonds5

About 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine

2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 155392391) has the molecular formula C20H39N5 and a molecular weight of 349.57 g/mol. Its IUPAC name is 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine
PubChem CID155392391
Molecular FormulaC20H39N5
Molecular Weight349.57 g/mol
Exact Mass349.32
IUPAC Name2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine
SMILESCC(C)(C)N1CC(N2CC(NCC(C)(C)N3CC4(CC(N)C4)C3)C2)C1
InChIInChI=1S/C20H39N5/c1-18(2,3)24-10-17(11-24)23-8-16(9-23)22-12-19(4,5)25-13-20(14-25)6-15(21)7-20/h15-17,22H,6-14,21H2,1-5H3
InChIKeyZWSDNNWBFZQLAK-UHFFFAOYSA-N
XLogP0.94
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.57
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine (CID 155392391) is 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine is CC(C)(C)N1CC(N2CC(NCC(C)(C)N3CC4(CC(N)C4)C3)C2)C1.
What is the InChIKey of 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is ZWSDNNWBFZQLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5/c1-18(2,3)24-10-17(11-24)23-8-16(9-23)22-12-19(4,5)25-13-20(14-25)6-15(21)7-20/h15-17,22H,6-14,21H2,1-5H3.
What are the key properties of 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine?
2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 349.57 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 155392391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).