(2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine

C10H20N2 — CID 10975892

IUPAC(2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine
SMILESCC(C)(C)N1CC2CC1(CN)C2
InChIInChI=1S/C10H20N2/c1-9(2,3)12-6-8-4-10(12,5-8)7-11/h8H,4-7,11H2,1-3H3
InChIKeyTXOFWBVJSIEQIP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds1

About (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine

(2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine (PubChem CID 10975892) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine
PubChem CID10975892
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine
SMILESCC(C)(C)N1CC2CC1(CN)C2
InChIInChI=1S/C10H20N2/c1-9(2,3)12-6-8-4-10(12,5-8)7-11/h8H,4-7,11H2,1-3H3
InChIKeyTXOFWBVJSIEQIP-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine?
The IUPAC name of (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine (CID 10975892) is (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine?
The canonical SMILES for (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine is CC(C)(C)N1CC2CC1(CN)C2.
What is the InChIKey of (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine?
The InChIKey is TXOFWBVJSIEQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2,3)12-6-8-4-10(12,5-8)7-11/h8H,4-7,11H2,1-3H3.
What are the key properties of (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine?
(2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine is sourced from PubChem (CID 10975892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).