N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine

C10H20N2 — CID 165487311

IUPACN-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine
SMILESCC(C)NCC12CCC1CNC2
InChIInChI=1S/C10H20N2/c1-8(2)12-7-10-4-3-9(10)5-11-6-10/h8-9,11-12H,3-7H2,1-2H3
InChIKeyHMRQDGHHDOFMLA-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.98
Rot. Bonds3

About N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine

N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine (PubChem CID 165487311) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine
PubChem CID165487311
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine
SMILESCC(C)NCC12CCC1CNC2
InChIInChI=1S/C10H20N2/c1-8(2)12-7-10-4-3-9(10)5-11-6-10/h8-9,11-12H,3-7H2,1-2H3
InChIKeyHMRQDGHHDOFMLA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine?
The IUPAC name of N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine (CID 165487311) is N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine is CC(C)NCC12CCC1CNC2.
What is the InChIKey of N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine?
The InChIKey is HMRQDGHHDOFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-7-10-4-3-9(10)5-11-6-10/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of N-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine?
N-(3-azabicyclo[3.2.0]heptan-1-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-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 165487311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).