(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine

C12H19N3 — CID 129300667

IUPAC(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine
SMILESC/C1=C\C=N/N=C/CCC(NC2CC2)C1
InChIInChI=1S/C12H19N3/c1-10-6-8-14-13-7-2-3-12(9-10)15-11-4-5-11/h6-8,11-12,15H,2-5,9H2,1H3/b10-6+,13-7+,14-8-
InChIKeyQFMCBCMLLLYRTD-JQQPUVRISA-N
MW205.31 g/mol
LogP2.29
Rot. Bonds2

About (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine

(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine (PubChem CID 129300667) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine.

Molecular Properties

Compound Name(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine
PubChem CID129300667
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine
SMILESC/C1=C\C=N/N=C/CCC(NC2CC2)C1
InChIInChI=1S/C12H19N3/c1-10-6-8-14-13-7-2-3-12(9-10)15-11-4-5-11/h6-8,11-12,15H,2-5,9H2,1H3/b10-6+,13-7+,14-8-
InChIKeyQFMCBCMLLLYRTD-JQQPUVRISA-N
XLogP2.29
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine?
The IUPAC name of (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine (CID 129300667) is (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine.
What is the SMILES notation for (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine?
The canonical SMILES for (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine is C/C1=C\C=N/N=C/CCC(NC2CC2)C1.
What is the InChIKey of (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine?
The InChIKey is QFMCBCMLLLYRTD-JQQPUVRISA-N. The full InChI is InChI=1S/C12H19N3/c1-10-6-8-14-13-7-2-3-12(9-10)15-11-4-5-11/h6-8,11-12,15H,2-5,9H2,1H3/b10-6+,13-7+,14-8-.
What are the key properties of (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine?
(1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine has a molecular weight of 205.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E,8E)-N-cyclopropyl-8-methyl-4,5,6,7-tetrahydrodiazecin-6-amine is sourced from PubChem (CID 129300667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).