3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen

C9H19N3 — CID 156716841

IUPAC3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen
SMILESCCn1ccn1CC1CCNC1.[H][H]
InChIInChI=1S/C9H17N3.H2/c1-2-11-5-6-12(11)8-9-3-4-10-7-9;/h5-6,9-10H,2-4,7-8H2,1H3;1H
InChIKeyNVGSOLCLPZISDN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.16
Rot. Bonds3

About 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen

3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen (PubChem CID 156716841) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen
PubChem CID156716841
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen
SMILESCCn1ccn1CC1CCNC1.[H][H]
InChIInChI=1S/C9H17N3.H2/c1-2-11-5-6-12(11)8-9-3-4-10-7-9;/h5-6,9-10H,2-4,7-8H2,1H3;1H
InChIKeyNVGSOLCLPZISDN-UHFFFAOYSA-N
XLogP1.16
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen?
The IUPAC name of 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen (CID 156716841) is 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen.
What is the SMILES notation for 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen?
The canonical SMILES for 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen is CCn1ccn1CC1CCNC1.[H][H].
What is the InChIKey of 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen?
The InChIKey is NVGSOLCLPZISDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.H2/c1-2-11-5-6-12(11)8-9-3-4-10-7-9;/h5-6,9-10H,2-4,7-8H2,1H3;1H.
What are the key properties of 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen?
3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen has a molecular weight of 169.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyldiazet-1-yl)methyl]pyrrolidine;molecular hydrogen is sourced from PubChem (CID 156716841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).