N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine

C14H29N3 — CID 176816684

IUPACN-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine
SMILESCC(C)(C)NC1CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H29N3/c1-13(2,3)15-11-7-16(8-11)12-9-17(10-12)14(4,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyHTFZMLIHJLLOCN-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds2

About N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine

N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine (PubChem CID 176816684) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine
PubChem CID176816684
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine
SMILESCC(C)(C)NC1CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H29N3/c1-13(2,3)15-11-7-16(8-11)12-9-17(10-12)14(4,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyHTFZMLIHJLLOCN-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine?
The IUPAC name of N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine (CID 176816684) is N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine?
The canonical SMILES for N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine is CC(C)(C)NC1CN(C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine?
The InChIKey is HTFZMLIHJLLOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(2,3)15-11-7-16(8-11)12-9-17(10-12)14(4,5)6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine?
N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine is sourced from PubChem (CID 176816684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).