N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine

C10H20N2 — CID 20628080

IUPACN-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC2CNC1C2
InChIInChI=1S/C10H20N2/c1-7(2)11-6-9-3-8-4-10(9)12-5-8/h7-12H,3-6H2,1-2H3
InChIKeyITGWIEASBIHULM-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.98
Rot. Bonds3

About N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine

N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine (PubChem CID 20628080) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine
PubChem CID20628080
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CC2CNC1C2
InChIInChI=1S/C10H20N2/c1-7(2)11-6-9-3-8-4-10(9)12-5-8/h7-12H,3-6H2,1-2H3
InChIKeyITGWIEASBIHULM-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo(2.2.1)heptane
CID 78963
2-Methyl-2-azabicyclo[2.2.1]heptan-5-amine
CID 20271678
1-Methyl-2-azabicyclo[2.2.1]heptane
CID 66970177
r-2-Azabicyclo[2.2.1]heptane
CID 69264533
(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine
CID 164821466
(1R,4S)-2-azabicyclo[2.2.1]heptane
CID 11863587
6-(Fluoromethyl)-2-azabicyclo[2.2.1]heptane
CID 105427439
(3-{2-Azabicyclo[2.2.1]heptan-2-yl}-2,2-difluoropropyl)(methyl)amine
CID 165742867
(1S,4S)-2-azabicyclo[2.2.1]heptane
CID 7545593
(1S,4R)-2-Azabicyclo[2.2.1]heptane
CID 11073349
2-Azabicyclo[2.2.1]heptan-5-amine
CID 19771533
2-Azoniabicyclo[2.2.1]heptane
CID 19799009

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine (CID 20628080) is N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine is CC(C)NCC1CC2CNC1C2.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine?
The InChIKey is ITGWIEASBIHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)11-6-9-3-8-4-10(9)12-5-8/h7-12H,3-6H2,1-2H3.
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine?
N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 20628080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).