N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine

C11H19N5 — CID 103061017

IUPACN-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
SMILESCCN(Cc1cnc(NN)cn1)CC1CC1
InChIInChI=1S/C11H19N5/c1-2-16(7-9-3-4-9)8-10-5-14-11(15-12)6-13-10/h5-6,9H,2-4,7-8,12H2,1H3,(H,14,15)
InChIKeyDOSGBNQOJOHWAJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.99
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine

N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine (PubChem CID 103061017) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
PubChem CID103061017
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
SMILESCCN(Cc1cnc(NN)cn1)CC1CC1
InChIInChI=1S/C11H19N5/c1-2-16(7-9-3-4-9)8-10-5-14-11(15-12)6-13-10/h5-6,9H,2-4,7-8,12H2,1H3,(H,14,15)
InChIKeyDOSGBNQOJOHWAJ-UHFFFAOYSA-N
XLogP0.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine (CID 103061017) is N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine is CCN(Cc1cnc(NN)cn1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is DOSGBNQOJOHWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-16(7-9-3-4-9)8-10-5-14-11(15-12)6-13-10/h5-6,9H,2-4,7-8,12H2,1H3,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 221.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 103061017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).