(5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine

C11H20N2 — CID 130249103

IUPAC(5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine
SMILESCC1/C=C\CC(NC2CC2)NCC1
InChIInChI=1S/C11H20N2/c1-9-3-2-4-11(12-8-7-9)13-10-5-6-10/h2-3,9-13H,4-8H2,1H3/b3-2-
InChIKeySWVHBYCKRMCCKA-IHWYPQMZSA-N
MW180.30 g/mol
LogP1.64
Rot. Bonds2

About (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine

(5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine (PubChem CID 130249103) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine.

Molecular Properties

Compound Name(5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine
PubChem CID130249103
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine
SMILESCC1/C=C\CC(NC2CC2)NCC1
InChIInChI=1S/C11H20N2/c1-9-3-2-4-11(12-8-7-9)13-10-5-6-10/h2-3,9-13H,4-8H2,1H3/b3-2-
InChIKeySWVHBYCKRMCCKA-IHWYPQMZSA-N
XLogP1.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine?
The IUPAC name of (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine (CID 130249103) is (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine.
What is the SMILES notation for (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine?
The canonical SMILES for (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine is CC1/C=C\CC(NC2CC2)NCC1.
What is the InChIKey of (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine?
The InChIKey is SWVHBYCKRMCCKA-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-3-2-4-11(12-8-7-9)13-10-5-6-10/h2-3,9-13H,4-8H2,1H3/b3-2-.
What are the key properties of (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine?
(5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine has a molecular weight of 180.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-cyclopropyl-4-methyl-1,2,3,4,7,8-hexahydroazocin-8-amine is sourced from PubChem (CID 130249103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).