N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine

C14H26N2 — CID 80997996

IUPACN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CC2CCC1C2
InChIInChI=1S/C14H26N2/c1-10(2)15-8-12-4-6-14(12)16-9-11-3-5-13(16)7-11/h10-15H,3-9H2,1-2H3
InChIKeyBICDLIGVQNRRHV-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 80997996) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID80997996
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CC2CCC1C2
InChIInChI=1S/C14H26N2/c1-10(2)15-8-12-4-6-14(12)16-9-11-3-5-13(16)7-11/h10-15H,3-9H2,1-2H3
InChIKeyBICDLIGVQNRRHV-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine (CID 80997996) is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CC2CCC1C2.
What is the InChIKey of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is BICDLIGVQNRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(2)15-8-12-4-6-14(12)16-9-11-3-5-13(16)7-11/h10-15H,3-9H2,1-2H3.
What are the key properties of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 80997996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).