N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine

C13H22N4 — CID 114222417

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine
SMILESCCn1nncc1NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H22N4/c1-3-17-13(8-14-16-17)15-9(2)12-7-10-4-5-11(12)6-10/h8-12,15H,3-7H2,1-2H3
InChIKeyVNABUYYKWDLLKE-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine (PubChem CID 114222417) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine
PubChem CID114222417
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine
SMILESCCn1nncc1NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H22N4/c1-3-17-13(8-14-16-17)15-9(2)12-7-10-4-5-11(12)6-10/h8-12,15H,3-7H2,1-2H3
InChIKeyVNABUYYKWDLLKE-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine (CID 114222417) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine is CCn1nncc1NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine?
The InChIKey is VNABUYYKWDLLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17-13(8-14-16-17)15-9(2)12-7-10-4-5-11(12)6-10/h8-12,15H,3-7H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine is sourced from PubChem (CID 114222417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).