4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine

C13H26N2 — CID 64706173

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)N1CC2CCC1C2
InChIInChI=1S/C13H26N2/c1-4-14-10(2)7-11(3)15-9-12-5-6-13(15)8-12/h10-14H,4-9H2,1-3H3
InChIKeyGUVGCLMQPIGTHK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine (PubChem CID 64706173) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine
PubChem CID64706173
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)N1CC2CCC1C2
InChIInChI=1S/C13H26N2/c1-4-14-10(2)7-11(3)15-9-12-5-6-13(15)8-12/h10-14H,4-9H2,1-3H3
InChIKeyGUVGCLMQPIGTHK-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine (CID 64706173) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine is CCNC(C)CC(C)N1CC2CCC1C2.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine?
The InChIKey is GUVGCLMQPIGTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-14-10(2)7-11(3)15-9-12-5-6-13(15)8-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64706173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).