N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine

C12H22N2 — CID 62435634

IUPACN-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CC2CCC1C2
InChIInChI=1S/C12H22N2/c1-9(7-13-11-3-4-11)14-8-10-2-5-12(14)6-10/h9-13H,2-8H2,1H3
InChIKeyHDUCSQDNOGEYRX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine

N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine (PubChem CID 62435634) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine
PubChem CID62435634
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CC2CCC1C2
InChIInChI=1S/C12H22N2/c1-9(7-13-11-3-4-11)14-8-10-2-5-12(14)6-10/h9-13H,2-8H2,1H3
InChIKeyHDUCSQDNOGEYRX-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.61
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)propyl]cyclopropanamine?
The IUPAC name of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine (CID 62435634) is N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine is CC(CNC1CC1)N1CC2CCC1C2.
What is the InChIKey of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine?
The InChIKey is HDUCSQDNOGEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(7-13-11-3-4-11)14-8-10-2-5-12(14)6-10/h9-13H,2-8H2,1H3.
What are the key properties of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine?
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine has a molecular weight of 194.32 g/mol, XLogP of 1.61, 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)propyl]cyclopropanamine is sourced from PubChem (CID 62435634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).